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13148-83-9 | Cyclohexanecarboxylic acid, 3-oxo-, methyl ester
CAS No: 13148-83-9 Catalog No: AG000WA0 MDL No:MFCD09031996
Product Description
Catalog Number:
AG000WA0
Chemical Name:
Cyclohexanecarboxylic acid, 3-oxo-, methyl ester
CAS Number:
13148-83-9
Molecular Formula:
C8H12O3
Molecular Weight:
156.1791
MDL Number:
MFCD09031996
IUPAC Name:
methyl 3-oxocyclohexane-1-carboxylate
InChI:
InChI=1S/C8H12O3/c1-11-8(10)6-3-2-4-7(9)5-6/h6H,2-5H2,1H3
InChI Key:
MAEFSJWFUPHVPY-UHFFFAOYSA-N
SMILES:
COC(=O)C1CCCC(=O)C1
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.079g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
156.181g/mol
Monoisotopic Mass:
156.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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