CS-0655674
4-Methyl-2,1-benzisoxazole
Manufacturer: ChemScene
CAS Number: 107096-53-7
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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
C₈H₇NO
Molecular Weight
133.15
Synonyms
None
SMILES
CC1=CC=CC2=NOC=C21
Tpsa
26.03
Logp
2.13622
H Acceptors
2
H Donors
0
Rotatable Bonds
0
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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: C₈H₇NO
Molecular Weight: 133.15
Synonyms: None
SMILES: CC1=CC=CC2=NOC=C21
Tpsa: 26.03
Logp: 2.13622
H Acceptors: 2
H Donors: 0
Rotatable Bonds: 0
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₈H₇NO
Molecular Weight:
133.15
Synonyms:
None
SMILES:
CC1=CC=CC2=NOC=C21
Tpsa:
26.03
Logp:
2.13622
H Acceptors:
2
H Donors:
0
Rotatable Bonds:
0
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₁₄H₁₁₈N₄O₃₃
Molecular Weight: 2072.16
Synonyms: None
SMILES: O=C(N[C@H](C(NC[C@H](OC(C1=CC=CC=C1)=O)[C@@H](OC(C2=CC=CC=C2)=O)[C@H](OC(C3=CC=CC=C3)=O)[C@H](OC(C4=CC=CC=C4)=O)COC(C5=CC=CC=C5)=O)=O)CCC(NC[C@H](OC(C6=CC=CC=C6)=O)[C@@H](OC(C7=CC=CC=C7)=O)[C@H](OC(C8=CC=CC=C8)=O)[C@H](OC(C9=CC=CC=C9)=O)COC(C%10=CC=CC=C%10)=O)=O)CCOCCOCCOCCOCCOCCOCCOCCOCCNC(OCC%11=CC=CC=C%11)=O
Tpsa: 462.47
Logp: 12.4519
H Acceptors: 33
H Donors: 4
Rotatable Bonds: 66
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₁₄H₁₁₈N₄O₃₃
Molecular Weight:
2072.16
Synonyms:
None
SMILES:
O=C(N[C@H](C(NC[C@H](OC(C1=CC=CC=C1)=O)[C@@H](OC(C2=CC=CC=C2)=O)[C@H](OC(C3=CC=CC=C3)=O)[C@H](OC(C4=CC=CC=C4)=O)COC(C5=CC=CC=C5)=O)=O)CCC(NC[C@H](OC(C6=CC=CC=C6)=O)[C@@H](OC(C7=CC=CC=C7)=O)[C@H](OC(C8=CC=CC=C8)=O)[C@H](OC(C9=CC=CC=C9)=O)COC(C%10=CC=CC=C%10)=O)=O)CCOCCOCCOCCOCCOCCOCCOCCOCCNC(OCC%11=CC=CC=C%11)=O
Tpsa:
462.47
Logp:
12.4519
H Acceptors:
33
H Donors:
4
Rotatable Bonds:
66
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₃₀H₂₆O₁₀
Molecular Weight: 546.52
Synonyms: Chaetochromin
SMILES: O=C1C2=C(O[C@@H]([C@H]1C)C)C=C3C(C4=C(C=C(C(C(O)=C56)=C4C=C6O[C@H](C)[C@@H](C)C5=O)O)O)=C(O)C=C(O)C3=C2O
Tpsa: 173.98
Logp: 5.093
H Acceptors: 10
H Donors: 6
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:
C₃₀H₂₆O₁₀
Molecular Weight:
546.52
Synonyms:
Chaetochromin
SMILES:
O=C1C2=C(O[C@@H]([C@H]1C)C)C=C3C(C4=C(C=C(C(C(O)=C56)=C4C=C6O[C@H](C)[C@@H](C)C5=O)O)O)=C(O)C=C(O)C3=C2O
Tpsa:
173.98
Logp:
5.093
H Acceptors:
10
H Donors:
6
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: C₅H₈O₃
Molecular Weight: 116.12
Synonyms: None
SMILES: O=C(C(OCC)=C)O
Tpsa: 46.53
Logp: 0.6212
H Acceptors: 2
H Donors: 1
Rotatable Bonds: 3
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₅H₈O₃
Molecular Weight:
116.12
Synonyms:
None
SMILES:
O=C(C(OCC)=C)O
Tpsa:
46.53
Logp:
0.6212
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
3