CS-0651703
Ethyl 4-cyano-3-(3-hydroxypropyl)benzoate
Manufacturer: ChemScene
CAS Number: 2870647-70-2
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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
C₁₃H₁₅NO₃
Molecular Weight
233.26
Synonyms
None
SMILES
O=C(OCC)C1=CC=C(C#N)C(CCCO)=C1
Tpsa
70.32
Logp
1.65988
H Acceptors
4
H Donors
1
Rotatable Bonds
5
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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: C₁₃H₁₅NO₃
Molecular Weight: 233.26
Synonyms: None
SMILES: O=C(OCC)C1=CC=C(C#N)C(CCCO)=C1
Tpsa: 70.32
Logp: 1.65988
H Acceptors: 4
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:
C₁₃H₁₅NO₃
Molecular Weight:
233.26
Synonyms:
None
SMILES:
O=C(OCC)C1=CC=C(C#N)C(CCCO)=C1
Tpsa:
70.32
Logp:
1.65988
H Acceptors:
4
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: C₈H₆FNO₅
Molecular Weight: 215.14
Synonyms: None
SMILES: O=C(OC)C1=CC(O)=C([N+]([O-])=O)C(F)=C1
Tpsa: 89.67
Logp: 1.2261
H Acceptors: 5
H Donors: 1
Rotatable Bonds: 2
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₈H₆FNO₅
Molecular Weight:
215.14
Synonyms:
None
SMILES:
O=C(OC)C1=CC(O)=C([N+]([O-])=O)C(F)=C1
Tpsa:
89.67
Logp:
1.2261
H Acceptors:
5
H Donors:
1
Rotatable Bonds:
2
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₃H₁₁FN₂O₄
Molecular Weight: 278.24
Synonyms: None
SMILES: O=C(C(N(CC1=C2C(F)=C(O)C=C1)C2=O)CC3)NC3=O
Tpsa: 86.71
Logp: 0.2923
H Acceptors: 4
H Donors: 2
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:
C₁₃H₁₁FN₂O₄
Molecular Weight:
278.24
Synonyms:
None
SMILES:
O=C(C(N(CC1=C2C(F)=C(O)C=C1)C2=O)CC3)NC3=O
Tpsa:
86.71
Logp:
0.2923
H Acceptors:
4
H Donors:
2
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: C₁₅H₁₆N₂O₄
Molecular Weight: 288.30
Synonyms: None
SMILES: O=C(C(N(CC1=C2C=C(CO)C=C1C)C2=O)CC3)NC3=O
Tpsa: 86.71
Logp: 0.24832
H Acceptors: 4
H Donors: 2
Rotatable Bonds: 2
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₅H₁₆N₂O₄
Molecular Weight:
288.30
Synonyms:
None
SMILES:
O=C(C(N(CC1=C2C=C(CO)C=C1C)C2=O)CC3)NC3=O
Tpsa:
86.71
Logp:
0.24832
H Acceptors:
4
H Donors:
2
Rotatable Bonds:
2