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1196989-59-9 | Cyclohexanecarboxylic acid, 4-oxo-1-(phenylmethyl)-, methyl ester
CAS No: 1196989-59-9 Catalog No: AG000PGK MDL No:
Product Description
Catalog Number:
AG000PGK
Chemical Name:
Cyclohexanecarboxylic acid, 4-oxo-1-(phenylmethyl)-, methyl ester
CAS Number:
1196989-59-9
Molecular Formula:
C15H18O3
Molecular Weight:
246.3016
IUPAC Name:
methyl 1-benzyl-4-oxocyclohexane-1-carboxylate
InChI:
InChI=1S/C15H18O3/c1-18-14(17)15(9-7-13(16)8-10-15)11-12-5-3-2-4-6-12/h2-6H,7-11H2,1H3
InChI Key:
AWWDFBWFJGDEQB-UHFFFAOYSA-N
SMILES:
COC(=O)C1(CCC(=O)CC1)Cc1ccccc1
Properties
Complexity:
306
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.126g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.306g/mol
Monoisotopic Mass:
246.126g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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