CS-0435330
Methyl 3′-phenyl-3′H-cyclopropa[1,9][5,6]fullerene-C60-Ih-3′-hexanoate
Manufacturer: ChemScene
CAS Number: 1242279-48-6
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Purity
98%
MDL No
None
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₇₄H₁₈O₂
Molecular Weight
938.93
Synonyms
3'H-Cyclopropa[1,9][5,6]fullerene-C60-Ih-3'-hexanoic acid, 3'-phenyl-, methyl ester
SMILES
O=C(OC)CCCCCC1(C2=CC=CC=C2)C34C15C(C6=C78)=C9C(C%10=C%11C%12=C%13C%14=C%15%16)=C5C%17=C(C%10=C%12%18)C%19=C%20C%18=C%14C%21=C%20C%22=C%23C%19=C%17C3=C%24C%25=C4C6=C%26C7=C%27C%28=C%29C8=C9C%11=C%29C%13=C%15C%28=C%30C%27=C%31C%26=C%25C%32=C%31C%33=C%30C%16=C%21C%33=C%22C%32=C%24%23
Tpsa
26.3
Logp
19.3691
H Acceptors
2
H Donors
0
Rotatable Bonds
7
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 1242279-48-6 | (6,6)-Phenyl-C61 methyl-hexanoate | A2B Chem | -- |
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SAFETY INFORMATION
Pictograms
Signal Word
Warning
UN Number
N/A
Class
N/A
Packing Group
N/A
Hazard Statements
Precautionary Statements
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
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Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₇₄H₁₈O₂
Molecular Weight: 938.93
Synonyms: 3'H-Cyclopropa[1,9][5,6]fullerene-C60-Ih-3'-hexanoic acid, 3'-phenyl-, methyl ester
SMILES: O=C(OC)CCCCCC1(C2=CC=CC=C2)C34C15C(C6=C78)=C9C(C%10=C%11C%12=C%13C%14=C%15%16)=C5C%17=C(C%10=C%12%18)C%19=C%20C%18=C%14C%21=C%20C%22=C%23C%19=C%17C3=C%24C%25=C4C6=C%26C7=C%27C%28=C%29C8=C9C%11=C%29C%13=C%15C%28=C%30C%27=C%31C%26=C%25C%32=C%31C%33=C%30C%16=C%21C%33=C%22C%32=C%24%23
Tpsa: 26.3
Logp: 19.3691
H Acceptors: 2
H Donors: 0
Rotatable Bonds: 7
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₇₄H₁₈O₂
Molecular Weight:
938.93
Synonyms:
3'H-Cyclopropa[1,9][5,6]fullerene-C60-Ih-3'-hexanoic acid, 3'-phenyl-, methyl ester
SMILES:
O=C(OC)CCCCCC1(C2=CC=CC=C2)C34C15C(C6=C78)=C9C(C%10=C%11C%12=C%13C%14=C%15%16)=C5C%17=C(C%10=C%12%18)C%19=C%20C%18=C%14C%21=C%20C%22=C%23C%19=C%17C3=C%24C%25=C4C6=C%26C7=C%27C%28=C%29C8=C9C%11=C%29C%13=C%15C%28=C%30C%27=C%31C%26=C%25C%32=C%31C%33=C%30C%16=C%21C%33=C%22C%32=C%24%23
Tpsa:
26.3
Logp:
19.3691
H Acceptors:
2
H Donors:
0
Rotatable Bonds:
7
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₃₁H₂₃IrN₂O₂S₂
Molecular Weight: 711.87
Synonyms: IridiuM(III) bis(4-phenylthieno[3,2-c]pyridinato-N,C2')acetylacetonate
SMILES: CC1=O[Ir+3]23([C-]4=C(C5=C6C=CSC6=CC=[N]52)C=CC=C4)([C-]7=C(C8=C9C=CSC9=CC=[N]83)C=CC=C7)O=C(C)[CH-]1
Tpsa: N/A
Logp: N/A
H Acceptors: N/A
H Donors: N/A
Rotatable Bonds: N/A
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₁H₂₃IrN₂O₂S₂
Molecular Weight:
711.87
Synonyms:
IridiuM(III) bis(4-phenylthieno[3,2-c]pyridinato-N,C2')acetylacetonate
SMILES:
CC1=O[Ir+3]23([C-]4=C(C5=C6C=CSC6=CC=[N]52)C=CC=C4)([C-]7=C(C8=C9C=CSC9=CC=[N]83)C=CC=C7)O=C(C)[CH-]1
Tpsa:
N/A
Logp:
N/A
H Acceptors:
N/A
H Donors:
N/A
Rotatable Bonds:
N/A
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₃₆H₄₄S₃
Molecular Weight: 572.93
Synonyms: None
SMILES: CCCCCCCCC1=CC=C(C=C1)C2=CC3=C(S2)C4=C(C=C(C5=CC=C(CCCCCCCC)C=C5)S4)S3
Tpsa: 0
Logp: 13.3175
H Acceptors: 3
H Donors: 0
Rotatable Bonds: 16
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₆H₄₄S₃
Molecular Weight:
572.93
Synonyms:
None
SMILES:
CCCCCCCCC1=CC=C(C=C1)C2=CC3=C(S2)C4=C(C=C(C5=CC=C(CCCCCCCC)C=C5)S4)S3
Tpsa:
0
Logp:
13.3175
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
16
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₈H₆Se₂
Molecular Weight: 260.05
Synonyms: None
SMILES: C1(C2=CC=C[Se]2)=CC=C[Se]1
Tpsa: 0
Logp: 1.4676
H Acceptors: 0
H Donors: 0
Rotatable Bonds: 1
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₈H₆Se₂
Molecular Weight:
260.05
Synonyms:
None
SMILES:
C1(C2=CC=C[Se]2)=CC=C[Se]1
Tpsa:
0
Logp:
1.4676
H Acceptors:
0
H Donors:
0
Rotatable Bonds:
1