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188988-95-6 | 7-Octenoic acid, 3,7-dimethyl-4-oxo-
CAS No: 188988-95-6 Catalog No: AG002HNR MDL No:
Product Description
Catalog Number:
AG002HNR
Chemical Name:
7-Octenoic acid, 3,7-dimethyl-4-oxo-
CAS Number:
188988-95-6
Molecular Formula:
C10H16O3
Molecular Weight:
184.2322
IUPAC Name:
3,7-dimethyl-4-oxooct-7-enoic acid
InChI:
InChI=1S/C10H16O3/c1-7(2)4-5-9(11)8(3)6-10(12)13/h8H,1,4-6H2,2-3H3,(H,12,13)
InChI Key:
HYEGRTGOMYHARP-UHFFFAOYSA-N
SMILES:
CC(=C)CCC(=O)C(CC(=O)O)C
Properties
Complexity:
218
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.11g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
184.235g/mol
Monoisotopic Mass:
184.11g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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