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29428-96-4 | 6,9,12-Hexadecatrienoic acid, (6Z,9Z,12Z)-
CAS No: 29428-96-4 Catalog No: AG002YCU MDL No:
Product Description
Catalog Number:
AG002YCU
Chemical Name:
6,9,12-Hexadecatrienoic acid, (6Z,9Z,12Z)-
CAS Number:
29428-96-4
Molecular Formula:
C16H26O2
Molecular Weight:
250.3764
IUPAC Name:
hexadeca-6,9,12-trienoic acid
InChI:
InChI=1S/C16H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h4-5,7-8,10-11H,2-3,6,9,12-15H2,1H3,(H,17,18)
InChI Key:
SBEXLJDCZSJDLW-UHFFFAOYSA-N
SMILES:
CCC/C=C\C/C=C\C/C=C\CCCCC(=O)O
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.193g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
250.382g/mol
Monoisotopic Mass:
250.193g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
3
XLogP3:
4.8
Literature
| Title | Journal |
|---|---|
| Production of octadienal in the marine diatom Skeletonema costatum. | Organic letters 20030320 |
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