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129722-95-8 | 6,12,14-Octadecatrienoic acid, (Z,Z,Z)- (9CI)
CAS No: 129722-95-8 Catalog No: AG000TM9 MDL No:
Product Description
Catalog Number:
AG000TM9
Chemical Name:
6,12,14-Octadecatrienoic acid, (Z,Z,Z)- (9CI)
CAS Number:
129722-95-8
Molecular Formula:
C18H30O2
Molecular Weight:
278.4296
IUPAC Name:
octadeca-6,12,14-trienoic acid
InChI:
InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h4-7,12-13H,2-3,8-11,14-17H2,1H3,(H,19,20)
InChI Key:
JWGJHRDGLVDUIT-UHFFFAOYSA-N
SMILES:
CCC/C=C\C=C/CCCC/C=C\CCCCC(=O)O
Properties
Complexity:
301
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.225g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
278.436g/mol
Monoisotopic Mass:
278.225g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
3
XLogP3:
5.9
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