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155326-31-1

155326-31-1 | 6,10,12-Octadecatrienoic acid, 9-hydroxy-, methyl ester, (6Z,10E,12Z)-

CAS No: 155326-31-1 Catalog No: AG001NTJ MDL No:

Product Description

Catalog Number:
AG001NTJ
Chemical Name:
6,10,12-Octadecatrienoic acid, 9-hydroxy-, methyl ester, (6Z,10E,12Z)-
CAS Number:
155326-31-1
Molecular Formula:
C19H32O3
Molecular Weight:
308.4556
IUPAC Name:
methyl 9-hydroxyoctadeca-6,10,12-trienoate
InChI:
InChI=1S/C19H32O3/c1-3-4-5-6-7-9-12-15-18(20)16-13-10-8-11-14-17-19(21)22-2/h7,9-10,12-13,15,18,20H,3-6,8,11,14,16-17H2,1-2H3
InChI Key:
FGLZGYITSVXAFW-UHFFFAOYSA-N
SMILES:
CCCCC/C=C\C=C\C(C/C=C\CCCCC(=O)OC)O

Properties

Complexity:
343  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.235g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
308.462g/mol
Monoisotopic Mass:
308.235g/mol
Rotatable Bond Count:
14  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
3  
XLogP3:
5.1  

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