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138200-52-9 | Cyclohexanecarboxylic acid, 1-(benzoyloxy)-2-oxo-, methyl ester, (1S)-
CAS No: 138200-52-9 Catalog No: AG0018AC MDL No:
Product Description
Catalog Number:
AG0018AC
Chemical Name:
Cyclohexanecarboxylic acid, 1-(benzoyloxy)-2-oxo-, methyl ester, (1S)-
CAS Number:
138200-52-9
Molecular Formula:
C15H16O5
Molecular Weight:
276.2845
IUPAC Name:
(1-methoxycarbonyl-2-oxocyclohexyl) benzoate
InChI:
InChI=1S/C15H16O5/c1-19-14(18)15(10-6-5-9-12(15)16)20-13(17)11-7-3-2-4-8-11/h2-4,7-8H,5-6,9-10H2,1H3
InChI Key:
HPLOQUCCXRZDFB-UHFFFAOYSA-N
SMILES:
COC(=O)[C@@]1(CCCCC1=O)OC(=O)c1ccccc1
Properties
Complexity:
397
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.1g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
276.288g/mol
Monoisotopic Mass:
276.1g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
69.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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