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24555-30-4 | 5-Heptenoic acid, 2,6-dimethyl-
CAS No: 24555-30-4 Catalog No: AG002OIW MDL No:
Product Description
Catalog Number:
AG002OIW
Chemical Name:
5-Heptenoic acid, 2,6-dimethyl-
CAS Number:
24555-30-4
Molecular Formula:
C9H16O2
Molecular Weight:
156.2221
IUPAC Name:
2,6-dimethylhept-5-enoic acid
InChI:
InChI=1S/C9H16O2/c1-7(2)5-4-6-8(3)9(10)11/h5,8H,4,6H2,1-3H3,(H,10,11)
InChI Key:
YZGRYUUGPWDZTQ-UHFFFAOYSA-N
SMILES:
CC(=CCCC(C(=O)O)C)C
Properties
Complexity:
155
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.115g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
156.225g/mol
Monoisotopic Mass:
156.115g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
Literature
| Title | Journal |
|---|---|
| Semiochemicals of the Scarabaeinae. VII: Identification and synthesis of EAD-active constituents of abdominal sex attracting secretion of the male dung beetle, Kheper subaeneus. | Journal of chemical ecology 20021201 |
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