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115345-75-0 | Heptanoic acid, 4-methyl-2-oxo-
CAS No: 115345-75-0 Catalog No: AG000GM8 MDL No:
Product Description
Catalog Number:
AG000GM8
Chemical Name:
Heptanoic acid, 4-methyl-2-oxo-
CAS Number:
115345-75-0
Molecular Formula:
C8H14O3
Molecular Weight:
158.1950
IUPAC Name:
4-methyl-2-oxoheptanoic acid
InChI:
InChI=1S/C8H14O3/c1-3-4-6(2)5-7(9)8(10)11/h6H,3-5H2,1-2H3,(H,10,11)
InChI Key:
WCMDPNIHHKVMQY-UHFFFAOYSA-N
SMILES:
CC(CCC)CC(=O)C(=O)O
Properties
Complexity:
151
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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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