4-((5,5-Dimethyl-3-oxocyclohex-1-en-1-yl)amino)benzoic acid

Name: 4-((5,5-Dimethyl-3-oxocyclohex-1-en-1-yl)amino)benzoic acid
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CAS No. 159423-67-3
Cat. No. CS-0337012
Molecule weight259.30
Purity≥97%
MDL No.MFCD00129315

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4-((5,5-Dimethyl-3-oxocyclohex-1-en-1-yl)amino)benzoic acid|CS-0337012

Structure of 159423-67-3

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General Information

CAS No. 159423-67-3
Cat. No. CS-0337012
Purity ≥97%
MDL No. MFCD00129315
Storage Sealed in dry,2-8℃
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₅H₁₇NO₃
Molecular Weight 259.30
Synonym(s) 4-[(5,5-Dimethyl-3-oxocyclohex-1-en-1-yl)amino]benzoic acid
SMILES CC1(C)CC(=CC(=O)C1)NC2=CC=C(C=C2)C(=O)O

Safety Information

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GHS Pictogram : N/A	GHS No : N/A
Signal Word : N/A	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

TPSA 66.4
LogP 3.0697
H_Acceptors 3
H_Donors 2
Rotatable_Bonds 3

Other Classifications

Building Blocks Functional Group Carboxylic Acid

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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4-((5,5-Dimethyl-3-oxocyclohex-1-en-1-yl)amino)benzoic acid

CAS No. 159423-67-3

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