CS-0655060
Methyl 4-(2,4-difluorophenyl)-2-(hydroxymethyl)pent-4-enoate
Manufacturer: ChemScene
CAS Number: None
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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
C₁₃H₁₄F₂O₃
Molecular Weight
256.25
Synonyms
None
SMILES
FC1=C(C(CC(CO)C(OC)=O)=C)C=CC(F)=C1
Tpsa
46.53
Logp
2.1496
H Acceptors
3
H Donors
1
Rotatable Bonds
5
Other Options
...
SAFETY INFORMATION
ghsPictogramUrl
https://dev-s3.chemscene.com/web-image/physicalization/irritant.svg
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: C₁₃H₁₄F₂O₃
Molecular Weight: 256.25
Synonyms: None
SMILES: FC1=C(C(CC(CO)C(OC)=O)=C)C=CC(F)=C1
Tpsa: 46.53
Logp: 2.1496
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 5
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₃H₁₄F₂O₃
Molecular Weight:
256.25
Synonyms:
None
SMILES:
FC1=C(C(CC(CO)C(OC)=O)=C)C=CC(F)=C1
Tpsa:
46.53
Logp:
2.1496
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
5
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₈₄H₁₄₂O₁₀P₂Si₆
Molecular Weight: 1542.48
Synonyms: None
SMILES: C=C1[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](OCCCO[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)C/C1=C/CP(C2=CC=CC=C2)(C3=CC=CC=C3)=O.C=C4[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](OCCCO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C/C4=C/CP(C5=CC=CC=C5)(C6=CC=CC=C6)=O
Tpsa: 107.98
Logp: 22.9294
H Acceptors: 10
H Donors: 0
Rotatable Bonds: 28
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₈₄H₁₄₂O₁₀P₂Si₆
Molecular Weight:
1542.48
Synonyms:
None
SMILES:
C=C1[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](OCCCO[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)C/C1=C/CP(C2=CC=CC=C2)(C3=CC=CC=C3)=O.C=C4[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](OCCCO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C/C4=C/CP(C5=CC=CC=C5)(C6=CC=CC=C6)=O
Tpsa:
107.98
Logp:
22.9294
H Acceptors:
10
H Donors:
0
Rotatable Bonds:
28
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₃H₁₀N₂O₅
Molecular Weight: 274.23
Synonyms: None
SMILES: O=C(OCC1=CC=NC=C1)OC2=CC=C([N+]([O-])=O)C=C2
Tpsa: 91.56
Logp: 2.7054
H Acceptors: 6
H Donors: 0
Rotatable Bonds: 4
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₃H₁₀N₂O₅
Molecular Weight:
274.23
Synonyms:
None
SMILES:
O=C(OCC1=CC=NC=C1)OC2=CC=C([N+]([O-])=O)C=C2
Tpsa:
91.56
Logp:
2.7054
H Acceptors:
6
H Donors:
0
Rotatable Bonds:
4
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₃₀H₅₀O₅
Molecular Weight: 490.72
Synonyms: None
SMILES: C[C@@]12[C@](CC[C@]2([H])[C@H](C)CCCC(C)(O)C)([H])/C(CCC1)=C/C=C3C([C@H]([C@@H]([C@@H](C\3)O)O)OCCCO)=C
Tpsa: 90.15
Logp: 5.0822
H Acceptors: 5
H Donors: 4
Rotatable Bonds: 10
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₀H₅₀O₅
Molecular Weight:
490.72
Synonyms:
None
SMILES:
C[C@@]12[C@](CC[C@]2([H])[C@H](C)CCCC(C)(O)C)([H])/C(CCC1)=C/C=C3C([C@H]([C@@H]([C@@H](C\3)O)O)OCCCO)=C
Tpsa:
90.15
Logp:
5.0822
H Acceptors:
5
H Donors:
4
Rotatable Bonds:
10