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1385694-68-7 | Cyclohexanecarboxylic acid, 1-(2-methoxyphenyl)-4-oxo-, methyl ester
CAS No: 1385694-68-7 Catalog No: AG0018RH MDL No:MFCD22423129
Product Description
Catalog Number:
AG0018RH
Chemical Name:
Cyclohexanecarboxylic acid, 1-(2-methoxyphenyl)-4-oxo-, methyl ester
CAS Number:
1385694-68-7
Molecular Formula:
C15H18O4
Molecular Weight:
262.3010
MDL Number:
MFCD22423129
IUPAC Name:
methyl 1-(2-methoxyphenyl)-4-oxocyclohexane-1-carboxylate
InChI:
InChI=1S/C15H18O4/c1-18-13-6-4-3-5-12(13)15(14(17)19-2)9-7-11(16)8-10-15/h3-6H,7-10H2,1-2H3
InChI Key:
BWMCERRKIOPBNF-UHFFFAOYSA-N
SMILES:
COC(=O)C1(CCC(=O)CC1)c1ccccc1OC
Properties
Complexity:
340
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.121g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
262.305g/mol
Monoisotopic Mass:
262.121g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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