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86109-28-6 | 9-hydroxynon-2-enoic acid
CAS No: 86109-28-6 Catalog No: AG004L2W MDL No:
Product Description
Catalog Number:
AG004L2W
Chemical Name:
9-hydroxynon-2-enoic acid
CAS Number:
86109-28-6
Molecular Formula:
C9H16O3
Molecular Weight:
172.2215
IUPAC Name:
9-hydroxynon-2-enoic acid
InChI:
InChI=1S/C9H16O3/c10-8-6-4-2-1-3-5-7-9(11)12/h5,7,10H,1-4,6,8H2,(H,11,12)
InChI Key:
CHVXQERRIUDGMW-UHFFFAOYSA-N
SMILES:
OCCCCCCC=CC(=O)O
Properties
Complexity:
141
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.11g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
172.224g/mol
Monoisotopic Mass:
172.11g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.6
Literature
| Title | Journal |
|---|---|
| Intracellular metabolism of 4-hydroxynonenal. | Molecular aspects of medicine 20030101 |
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