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1438-96-6 | Cyclohexaneacetic acid, 2-oxo-
CAS No: 1438-96-6 Catalog No: AG001IEF MDL No:MFCD20638190
Product Description
Catalog Number:
AG001IEF
Chemical Name:
Cyclohexaneacetic acid, 2-oxo-
CAS Number:
1438-96-6
Molecular Formula:
C8H12O3
Molecular Weight:
156.1791
MDL Number:
MFCD20638190
IUPAC Name:
2-(2-oxocyclohexyl)acetic acid
InChI:
InChI=1S/C8H12O3/c9-7-4-2-1-3-6(7)5-8(10)11/h6H,1-5H2,(H,10,11)
InChI Key:
QRUYAODUCVMGQQ-UHFFFAOYSA-N
SMILES:
OC(=O)CC1CCCCC1=O
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:
1
Isotope Atom Count:
0
Molecular Weight:
156.181g/mol
Monoisotopic Mass:
156.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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