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13722-73-1 | Hexanoic acid, 4-methylene-
CAS No: 13722-73-1 Catalog No: AG0012YL MDL No:
Product Description
Catalog Number:
AG0012YL
Chemical Name:
Hexanoic acid, 4-methylene-
CAS Number:
13722-73-1
Molecular Formula:
C7H12O2
Molecular Weight:
128.1690
IUPAC Name:
4-methylidenehexanoic acid
InChI:
InChI=1S/C7H12O2/c1-3-6(2)4-5-7(8)9/h2-5H2,1H3,(H,8,9)
InChI Key:
SLXSYFSPLZPELJ-UHFFFAOYSA-N
SMILES:
CCC(=C)CCC(=O)O
Properties
Complexity:
116
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
128.084g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
128.171g/mol
Monoisotopic Mass:
128.084g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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