Home Carboxys 1-benzyl-4-oxocyclohexanecarboxylic acid

1-benzyl-4-oxocyclohexanecarboxylic acid

CAS No.:
56868-12-3
Catalog Number:
AG00EOV0
Molecular Formula:
C14H16O3
Molecular Weight:
232.2750
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Product Description
Catalog Number:
AG00EOV0
Chemical Name:
1-benzyl-4-oxocyclohexanecarboxylic acid
CAS Number:
56868-12-3
Molecular Formula:
C14H16O3
Molecular Weight:
232.2750
MDL Number:
MFCD20257291
IUPAC Name:
1-benzyl-4-oxocyclohexane-1-carboxylic acid
InChI:
InChI=1S/C14H16O3/c15-12-6-8-14(9-7-12,13(16)17)10-11-4-2-1-3-5-11/h1-5H,6-10H2,(H,16,17)
InChI Key:
NCNJCLUMOVAEAK-UHFFFAOYSA-N
SMILES:
OC(=O)C1(CCC(=O)CC1)Cc1ccccc1
Properties
Complexity:
293  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.11g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
232.279g/mol
Monoisotopic Mass:
232.11g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties