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1385694-76-7 | Cyclohexanecarboxylic acid, 1-(2-chlorophenyl)-4-oxo-, methyl ester
CAS No: 1385694-76-7 Catalog No: AG0018R9 MDL No:MFCD22423139
Product Description
Catalog Number:
AG0018R9
Chemical Name:
Cyclohexanecarboxylic acid, 1-(2-chlorophenyl)-4-oxo-, methyl ester
CAS Number:
1385694-76-7
Molecular Formula:
C14H15ClO3
Molecular Weight:
266.7201
MDL Number:
MFCD22423139
IUPAC Name:
methyl 1-(2-chlorophenyl)-4-oxocyclohexane-1-carboxylate
InChI:
InChI=1S/C14H15ClO3/c1-18-13(17)14(8-6-10(16)7-9-14)11-4-2-3-5-12(11)15/h2-5H,6-9H2,1H3
InChI Key:
IZNSGUGIYCNZOQ-UHFFFAOYSA-N
SMILES:
COC(=O)C1(CCC(=O)CC1)c1ccccc1Cl
Properties
Complexity:
330
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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