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Home > Other Building Blocks > 88785-31-3
88785-31-3 | 7-Hexadecenoic acid, 16-hydroxy-, (Z)-
CAS No: 88785-31-3 Catalog No: AG004AXD MDL No:
Product Description
Catalog Number:
AG004AXD
Chemical Name:
7-Hexadecenoic acid, 16-hydroxy-, (Z)-
CAS Number:
88785-31-3
Molecular Formula:
C16H30O3
Molecular Weight:
270.4076
IUPAC Name:
16-hydroxyhexadec-7-enoic acid
InChI:
InChI=1S/C16H30O3/c17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16(18)19/h2,4,17H,1,3,5-15H2,(H,18,19)
InChI Key:
MKIFOPBVDBXRTO-UHFFFAOYSA-N
SMILES:
OCCCCCCCC/C=C\CCCCCC(=O)O
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.219g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
270.413g/mol
Monoisotopic Mass:
270.219g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.6
Literature
| Title | Journal |
|---|---|
| Fragrance material review on 16-hydroxy-7-hexadecenoic acid lactone. | Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association 20111201 |
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