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190963-49-6 | Hexanoic acid, 4-ethyl-2-oxo-
CAS No: 190963-49-6 Catalog No: AG002EXT MDL No:
Product Description
Catalog Number:
AG002EXT
Chemical Name:
Hexanoic acid, 4-ethyl-2-oxo-
CAS Number:
190963-49-6
Molecular Formula:
C8H14O3
Molecular Weight:
158.1950
IUPAC Name:
4-ethyl-2-oxohexanoic acid
InChI:
InChI=1S/C8H14O3/c1-3-6(4-2)5-7(9)8(10)11/h6H,3-5H2,1-2H3,(H,10,11)
InChI Key:
RHTMTACREJQFGS-UHFFFAOYSA-N
SMILES:
CCC(CC(=O)C(=O)O)CC
Properties
Complexity:
147
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:
2
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