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1385694-73-4 | Cyclohexanecarboxylic acid, 1-(2-methylphenyl)-4-oxo-
CAS No: 1385694-73-4 Catalog No: AG0018RC MDL No:MFCD22423141
Product Description
Catalog Number:
AG0018RC
Chemical Name:
Cyclohexanecarboxylic acid, 1-(2-methylphenyl)-4-oxo-
CAS Number:
1385694-73-4
Molecular Formula:
C14H16O3
Molecular Weight:
232.2750
MDL Number:
MFCD22423141
IUPAC Name:
1-(2-methylphenyl)-4-oxocyclohexane-1-carboxylic acid
InChI:
InChI=1S/C14H16O3/c1-10-4-2-3-5-12(10)14(13(16)17)8-6-11(15)7-9-14/h2-5H,6-9H2,1H3,(H,16,17)
InChI Key:
CVDLCBGRWYUNAK-UHFFFAOYSA-N
SMILES:
O=C1CCC(CC1)(C(=O)O)c1ccccc1C
Properties
Complexity:
311
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.11g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
232.279g/mol
Monoisotopic Mass:
232.11g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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