CS-0886987
2-(tert-Butyl)-4-cyanobenzoic acid
Manufacturer: ChemScene
CAS Number: 1369842-05-6
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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
C₁₂H₁₃NO₂
Molecular Weight
203.24
Synonyms
None
SMILES
O=C(O)C1=CC=C(C#N)C=C1C(C)(C)C
Tpsa
61.09
Logp
2.55398
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: C₁₂H₁₃NO₂
Molecular Weight: 203.24
Synonyms: None
SMILES: O=C(O)C1=CC=C(C#N)C=C1C(C)(C)C
Tpsa: 61.09
Logp: 2.55398
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:
C₁₂H₁₃NO₂
Molecular Weight:
203.24
Synonyms:
None
SMILES:
O=C(O)C1=CC=C(C#N)C=C1C(C)(C)C
Tpsa:
61.09
Logp:
2.55398
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: C₁₃H₁₅NO₃
Molecular Weight: 233.26
Synonyms: None
SMILES: O=C(O)COC1=CC=C(C#N)C=C1C(C)(C)C
Tpsa: 70.32
Logp: 2.31918
H Acceptors: 3
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:
C₁₃H₁₅NO₃
Molecular Weight:
233.26
Synonyms:
None
SMILES:
O=C(O)COC1=CC=C(C#N)C=C1C(C)(C)C
Tpsa:
70.32
Logp:
2.31918
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
3
Purity: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₈H₁₁NO₃
Molecular Weight: 169.18
Synonyms: None
SMILES: O=C(C1=C(C)NC(CO)=C1)OC
Tpsa: 62.32
Logp: 0.60202
H Acceptors: 3
H Donors: 2
Rotatable Bonds: 2
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₈H₁₁NO₃
Molecular Weight:
169.18
Synonyms:
None
SMILES:
O=C(C1=C(C)NC(CO)=C1)OC
Tpsa:
62.32
Logp:
0.60202
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: C₁₁H₁₄N₂
Molecular Weight: 174.24
Synonyms: None
SMILES: N#CC1=CC(C(C)(C)C)=CC(N)=C1
Tpsa: 49.81
Logp: 2.43798
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:
C₁₁H₁₄N₂
Molecular Weight:
174.24
Synonyms:
None
SMILES:
N#CC1=CC(C(C)(C)C)=CC(N)=C1
Tpsa:
49.81
Logp:
2.43798
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
0