CS-0587458
3-(Tert-butyl)-5-cyanobenzoic acid
Manufacturer: ChemScene
CAS Number: 942077-12-5
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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
3-Tert-butyl-5-cyanobenzoic acid
SMILES
CC(C)(C)C1=CC(=CC(=C1)C(=O)O)C#N
Tpsa
61.09
Logp
2.55398
H Acceptors
2
H Donors
1
Rotatable Bonds
1
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 942077-12-5 | 3-(Tert-butyl)-5-cyanobenzoic acid | A2B Chem | -- |
SAFETY INFORMATION
Pictograms
Signal Word
Warning
UN Number
N/A
Class
N/A
Packing Group
N/A
Hazard Statements
Precautionary Statements
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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: 3-Tert-butyl-5-cyanobenzoic acid
SMILES: CC(C)(C)C1=CC(=CC(=C1)C(=O)O)C#N
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:
3-Tert-butyl-5-cyanobenzoic acid
SMILES:
CC(C)(C)C1=CC(=CC(=C1)C(=O)O)C#N
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: C₈H₁₁NO₂S
Molecular Weight: 185.24
Synonyms: methyl 2-(2,4-dimethyl-1,3-thiazol-5-yl)acetate
SMILES: O=C(OC)CC1=C(C)N=C(C)S1
Tpsa: 39.19
Logp: 1.47544
H Acceptors: 4
H Donors: 0
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:
C₈H₁₁NO₂S
Molecular Weight:
185.24
Synonyms:
methyl 2-(2,4-dimethyl-1,3-thiazol-5-yl)acetate
SMILES:
O=C(OC)CC1=C(C)N=C(C)S1
Tpsa:
39.19
Logp:
1.47544
H Acceptors:
4
H Donors:
0
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: C₁₃H₁₃N₃O₂
Molecular Weight: 243.26
Synonyms: None
SMILES: O=C(O)C1=CN=C(N=C1C)NC=2C=CC=CC2C
Tpsa: 75.11
Logp: 2.53524
H Acceptors: 4
H Donors: 2
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:
C₁₃H₁₃N₃O₂
Molecular Weight:
243.26
Synonyms:
None
SMILES:
O=C(O)C1=CN=C(N=C1C)NC=2C=CC=CC2C
Tpsa:
75.11
Logp:
2.53524
H Acceptors:
4
H Donors:
2
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: C₁₀H₁₁ClO₄
Molecular Weight: 230.64
Synonyms: 3-chloro-4-hydroxy-5-methoxy-benzoic acid ethyl ester
SMILES: CCOC(=O)C1=CC(=C(C(=C1)Cl)O)OC
Tpsa: 55.76
Logp: 2.2309
H Acceptors: 4
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:
C₁₀H₁₁ClO₄
Molecular Weight:
230.64
Synonyms:
3-chloro-4-hydroxy-5-methoxy-benzoic acid ethyl ester
SMILES:
CCOC(=O)C1=CC(=C(C(=C1)Cl)O)OC
Tpsa:
55.76
Logp:
2.2309
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
3