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89860-88-8 | 4,6-Heptadienoic acid, 4,6-dimethyl-
CAS No: 89860-88-8 Catalog No: AG003X28 MDL No:
Product Description
Catalog Number:
AG003X28
Chemical Name:
4,6-Heptadienoic acid, 4,6-dimethyl-
CAS Number:
89860-88-8
Molecular Formula:
C9H14O2
Molecular Weight:
154.2063
IUPAC Name:
4,6-dimethylhepta-4,6-dienoic acid
InChI:
InChI=1S/C9H14O2/c1-7(2)6-8(3)4-5-9(10)11/h6H,1,4-5H2,2-3H3,(H,10,11)
InChI Key:
NIHQXEBPXDRGFO-UHFFFAOYSA-N
SMILES:
OC(=O)CCC(=CC(=C)C)C
Properties
Complexity:
190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
154.099g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
154.209g/mol
Monoisotopic Mass:
154.099g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.7
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