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27708-45-8 | Octadecanoic acid, epoxy-
CAS No: 27708-45-8 Catalog No: AG002UJP MDL No:
Product Description
Catalog Number:
AG002UJP
Chemical Name:
Octadecanoic acid, epoxy-
CAS Number:
27708-45-8
Molecular Formula:
C18H34O3
Molecular Weight:
298.4608
IUPAC Name:
3-pentadecyloxirane-2-carboxylic acid
InChI:
InChI=1S/C18H34O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(21-16)18(19)20/h16-17H,2-15H2,1H3,(H,19,20)
InChI Key:
PXNTUSQLBMEDQF-UHFFFAOYSA-N
SMILES:
OC(=O)CCCCCCCCCCCCCCCC1CO1
Properties
Complexity:
265
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.251g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
298.467g/mol
Monoisotopic Mass:
298.251g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
7.3
Literature
| Title | Journal |
|---|---|
| Cytochrome P450 family member CYP704B2 catalyzes the {omega}-hydroxylation of fatty acids and is required for anther cutin biosynthesis and pollen exine formation in rice. | The Plant cell 20100101 |
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