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84375-03-1 | 5-Heptenoic acid, 6-methyl-2-oxo-
CAS No: 84375-03-1 Catalog No: AG004X6G MDL No:
Product Description
Catalog Number:
AG004X6G
Chemical Name:
5-Heptenoic acid, 6-methyl-2-oxo-
CAS Number:
84375-03-1
Molecular Formula:
C8H12O3
Molecular Weight:
156.1791
IUPAC Name:
6-methyl-2-oxohept-5-enoic acid
InChI:
InChI=1S/C8H12O3/c1-6(2)4-3-5-7(9)8(10)11/h4H,3,5H2,1-2H3,(H,10,11)
InChI Key:
OIFFJBSGICAGDU-UHFFFAOYSA-N
SMILES:
CC(=CCCC(=O)C(=O)O)C
Properties
Complexity:
188
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:
4
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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