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

Name: 4-(((5,5-Dimethyl-3-oxocyclohex-1-en-1-yl)amino)methyl)benzoic acid
Brand: ChemScene
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CAS No. 351163-31-0
Cat. No. CS-0327619
Purity≥97%
MDL No.None

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Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
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4-(((5,5-Dimethyl-3-oxocyclohex-1-en-1-yl)amino)methyl)benzoic acid|CS-0327619

Structure of 351163-31-0

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General Information

CAS No. 351163-31-0
Cat. No. CS-0327619
Purity ≥97%
MDL No. None
Storage Sealed in dry,2-8℃
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₆H₁₉NO₃
Molecular Weight 273.33
Synonym(s) 4-([(5,5-DIMETHYL-3-OXOCYCLOHEX-1-EN-1-YL)AMINO]METHYL)BENZOIC ACID
SMILES CC1(C)CC(=CC(=O)C1)NCC2=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 2.7474
H_Acceptors 3
H_Donors 2
Rotatable_Bonds 4

Other Classifications

Building Blocks Functional Group Carboxylic Acid

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

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

CAS No. 351163-31-0

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