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131154-74-0 | Fatty acids, C14-18 and C16-22-unsatd., C11-14-isoalkyl esters, C13-rich
CAS No: 131154-74-0 Catalog No: AG000VMP MDL No:
Product Description
Catalog Number:
AG000VMP
Chemical Name:
Fatty acids, C14-18 and C16-22-unsatd., C11-14-isoalkyl esters, C13-rich
CAS Number:
131154-74-0
Molecular Formula:
C35H68O2
Molecular Weight:
520.9132
IUPAC Name:
tridecyl (Z)-docos-13-enoate
InChI:
InChI=1S/C35H68O2/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-25-27-29-31-33-35(36)37-34-32-30-28-26-24-14-12-10-8-6-4-2/h16-17H,3-15,18-34H2,1-2H3/b17-16-
InChI Key:
BGNWQYFHLCCUTB-MSUUIHNZSA-N
SMILES:
CCCCCCCCCCCCCOC(=O)CCCCCCCCCCC/C=C\CCCCCCCC
Properties
Complexity:
456
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
520.522g/mol
Formal Charge:
0
Heavy Atom Count:
37
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
520.927g/mol
Monoisotopic Mass:
520.522g/mol
Rotatable Bond Count:
32
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
15.9
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