CS-0887787
3-Cyano-2,6-dimethylbenzoic acid
Manufacturer: ChemScene
CAS Number: 86246-73-3
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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
C₁₀H₉NO₂
Molecular Weight
175.18
Synonyms
None
SMILES
O=C(O)C1=C(C)C=CC(C#N)=C1C
Tpsa
61.09
Logp
1.87332
H Acceptors
2
H Donors
1
Rotatable Bonds
1
Related Products
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: C₁₀H₉NO₂
Molecular Weight: 175.18
Synonyms: None
SMILES: O=C(O)C1=C(C)C=CC(C#N)=C1C
Tpsa: 61.09
Logp: 1.87332
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:
C₁₀H₉NO₂
Molecular Weight:
175.18
Synonyms:
None
SMILES:
O=C(O)C1=C(C)C=CC(C#N)=C1C
Tpsa:
61.09
Logp:
1.87332
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: C₆H₇F₂IN₂
Molecular Weight: 272.03
Synonyms: None
SMILES: CN1N=CC(I)=C1C(F)(F)C
Tpsa: 17.82
Logp: 2.1364
H Acceptors: 2
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:
C₆H₇F₂IN₂
Molecular Weight:
272.03
Synonyms:
None
SMILES:
CN1N=CC(I)=C1C(F)(F)C
Tpsa:
17.82
Logp:
2.1364
H Acceptors:
2
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: C₉H₁₀N₂
Molecular Weight: 146.19
Synonyms: None
SMILES: N#CC1=CC=C(C)C(N)=C1C
Tpsa: 49.81
Logp: 1.75732
H Acceptors: 2
H Donors: 1
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:
C₉H₁₀N₂
Molecular Weight:
146.19
Synonyms:
None
SMILES:
N#CC1=CC=C(C)C(N)=C1C
Tpsa:
49.81
Logp:
1.75732
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
0
Purity: 98%
MDL No: None
Storage: 4°C, stored under nitrogen
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₃H₁₆BF₃O₄
Molecular Weight: 304.07
Synonyms: None
SMILES: OC1=CC=CC(OC(F)(F)F)=C1B2OC(C)(C)C(C)(C)O2
Tpsa: 47.92
Logp: 2.59
H Acceptors: 4
H Donors: 1
Rotatable Bonds: 2
Purity:
98%
MDL No:
None
Storage:
4°C, stored under nitrogen
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₃H₁₆BF₃O₄
Molecular Weight:
304.07
Synonyms:
None
SMILES:
OC1=CC=CC(OC(F)(F)F)=C1B2OC(C)(C)C(C)(C)O2
Tpsa:
47.92
Logp:
2.59
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
2