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Home > Fluorides > 188893-23-4
188893-23-4 | 9,12-Octadecadienoic acid, 18-fluoro-, (9Z,12Z)-
CAS No: 188893-23-4 Catalog No: AG002HH4 MDL No:
Product Description
Catalog Number:
AG002HH4
Chemical Name:
9,12-Octadecadienoic acid, 18-fluoro-, (9Z,12Z)-
CAS Number:
188893-23-4
Molecular Formula:
C18H31FO2
Molecular Weight:
298.4359
IUPAC Name:
18-fluorooctadeca-9,12-dienoic acid
InChI:
InChI=1S/C18H31FO2/c19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18(20)21/h1-2,5,7H,3-4,6,8-17H2,(H,20,21)
InChI Key:
XVXSJURWEJNUMY-UHFFFAOYSA-N
SMILES:
FCCCCC/C=C\C/C=C\CCCCCCCC(=O)O
Properties
Complexity:
285
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.231g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
298.442g/mol
Monoisotopic Mass:
298.231g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
6
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