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1363165-99-4 | Cyclohexanecarboxylic acid, 1-(4-chlorophenyl)-4-oxo-, methyl ester
CAS No: 1363165-99-4 Catalog No: AG0011LP MDL No:MFCD21364425
Product Description
Catalog Number:
AG0011LP
Chemical Name:
Cyclohexanecarboxylic acid, 1-(4-chlorophenyl)-4-oxo-, methyl ester
CAS Number:
1363165-99-4
Molecular Formula:
C14H15ClO3
Molecular Weight:
266.7201
MDL Number:
MFCD21364425
IUPAC Name:
methyl 1-(4-chlorophenyl)-4-oxocyclohexane-1-carboxylate
InChI:
InChI=1S/C14H15ClO3/c1-18-13(17)14(8-6-12(16)7-9-14)10-2-4-11(15)5-3-10/h2-5H,6-9H2,1H3
InChI Key:
JHJVQEVAONNPFP-UHFFFAOYSA-N
SMILES:
COC(=O)C1(CCC(=O)CC1)c1ccc(cc1)Cl
Properties
Complexity:
322
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.071g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
266.721g/mol
Monoisotopic Mass:
266.071g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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