CS-0901397
4-Cyano-3-(hydroxymethyl)benzoic acid
Manufacturer: ChemScene
CAS Number: 1187238-31-8
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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
C₉H₇NO₃
Molecular Weight
177.16
Synonyms
None
SMILES
O=C(O)C1=CC=C(C#N)C(CO)=C1
Tpsa
81.32
Logp
0.74878
H Acceptors
3
H Donors
2
Rotatable Bonds
2
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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: C₉H₇NO₃
Molecular Weight: 177.16
Synonyms: None
SMILES: O=C(O)C1=CC=C(C#N)C(CO)=C1
Tpsa: 81.32
Logp: 0.74878
H Acceptors: 3
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:
C₉H₇NO₃
Molecular Weight:
177.16
Synonyms:
None
SMILES:
O=C(O)C1=CC=C(C#N)C(CO)=C1
Tpsa:
81.32
Logp:
0.74878
H Acceptors:
3
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: C₉H₅F₄NO
Molecular Weight: 219.14
Synonyms: None
SMILES: N#CC1=CC=C(C(F)(F)F)C(F)=C1CO
Tpsa: 44.02
Logp: 2.20848
H Acceptors: 2
H Donors: 1
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:
C₉H₅F₄NO
Molecular Weight:
219.14
Synonyms:
None
SMILES:
N#CC1=CC=C(C(F)(F)F)C(F)=C1CO
Tpsa:
44.02
Logp:
2.20848
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
1
Purity: 98%
MDL No: MFCD28397640
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₆H₇Cl₂N₃O
Molecular Weight: 208.05
Synonyms: None
SMILES: O=C(C1=C(N)C=CN=C1Cl)N.Cl
Tpsa: 82
Logp: 0.8379
H Acceptors: 3
H Donors: 2
Rotatable Bonds: 1
Purity:
98%
MDL No:
MFCD28397640
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₆H₇Cl₂N₃O
Molecular Weight:
208.05
Synonyms:
None
SMILES:
O=C(C1=C(N)C=CN=C1Cl)N.Cl
Tpsa:
82
Logp:
0.8379
H Acceptors:
3
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: C₉H₆F₃NO
Molecular Weight: 201.15
Synonyms: None
SMILES: N#CC1=CC=C(C(F)(F)F)C=C1CO
Tpsa: 44.02
Logp: 2.06938
H Acceptors: 2
H Donors: 1
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:
C₉H₆F₃NO
Molecular Weight:
201.15
Synonyms:
None
SMILES:
N#CC1=CC=C(C(F)(F)F)C=C1CO
Tpsa:
44.02
Logp:
2.06938
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
1