CS-1058949
3-(2-Cyanopropan-2-yl)-5-methylbenzoic acid
Manufacturer: ChemScene
CAS Number: 884001-14-3
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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
C₁₂H₁₃NO₂
Molecular Weight
203.24
Synonyms
None
SMILES
N#CC(C=1C=C(C=C(C1)C)C(=O)O)(C)C
Tpsa
61.09
Logp
2.4944
H Acceptors
2
H Donors
1
Rotatable Bonds
2
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: N#CC(C=1C=C(C=C(C1)C)C(=O)O)(C)C
Tpsa: 61.09
Logp: 2.4944
H Acceptors: 2
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:
C₁₂H₁₃NO₂
Molecular Weight:
203.24
Synonyms:
None
SMILES:
N#CC(C=1C=C(C=C(C1)C)C(=O)O)(C)C
Tpsa:
61.09
Logp:
2.4944
H Acceptors:
2
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: C₁₀H₁₂Cl₂N₂O₂S
Molecular Weight: 295.19
Synonyms: None
SMILES: O=C(OC)C1=C(Cl)N=C(N=C1Cl)SCCCC
Tpsa: 52.08
Logp: 3.4622
H Acceptors: 5
H Donors: 0
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:
C₁₀H₁₂Cl₂N₂O₂S
Molecular Weight:
295.19
Synonyms:
None
SMILES:
O=C(OC)C1=C(Cl)N=C(N=C1Cl)SCCCC
Tpsa:
52.08
Logp:
3.4622
H Acceptors:
5
H Donors:
0
Rotatable Bonds:
5
Purity: 97%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₇H₂₁NO
Molecular Weight: 255.35
Synonyms: None
SMILES: N#CC(C(=O)CC1CCCCC1)CC=2C=CC=CC2
Tpsa: 40.86
Logp: 3.90838
H Acceptors: 2
H Donors: 0
Rotatable Bonds: 5
Purity:
97%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₇H₂₁NO
Molecular Weight:
255.35
Synonyms:
None
SMILES:
N#CC(C(=O)CC1CCCCC1)CC=2C=CC=CC2
Tpsa:
40.86
Logp:
3.90838
H Acceptors:
2
H Donors:
0
Rotatable Bonds:
5
Purity: 97%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₆H₁₉NO
Molecular Weight: 241.33
Synonyms: None
SMILES: N#CC(C=1C=CC=CC1)C(=O)CC2CCCCC2
Tpsa: 40.86
Logp: 3.83328
H Acceptors: 2
H Donors: 0
Rotatable Bonds: 4
Purity:
97%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₆H₁₉NO
Molecular Weight:
241.33
Synonyms:
None
SMILES:
N#CC(C=1C=CC=CC1)C(=O)CC2CCCCC2
Tpsa:
40.86
Logp:
3.83328
H Acceptors:
2
H Donors:
0
Rotatable Bonds:
4