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146072-21-1 | Hexanoic acid, 5,5-dimethyl-6-oxo-
CAS No: 146072-21-1 Catalog No: AG001DNV MDL No:
Product Description
Catalog Number:
AG001DNV
Chemical Name:
Hexanoic acid, 5,5-dimethyl-6-oxo-
CAS Number:
146072-21-1
Molecular Formula:
C8H14O3
Molecular Weight:
158.1950
IUPAC Name:
5,5-dimethyl-6-oxohexanoic acid
InChI:
InChI=1S/C8H14O3/c1-8(2,6-9)5-3-4-7(10)11/h6H,3-5H2,1-2H3,(H,10,11)
InChI Key:
KBJVCWDSBOHBGX-UHFFFAOYSA-N
SMILES:
O=CC(CCCC(=O)O)(C)C
Properties
Complexity:
149
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.094g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
158.197g/mol
Monoisotopic Mass:
158.094g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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