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38433-95-3 | n-Propyl linoleate
CAS No: 38433-95-3 Catalog No: AG003TBR MDL No:
Product Description
Catalog Number:
AG003TBR
Chemical Name:
n-Propyl linoleate
CAS Number:
38433-95-3
Molecular Formula:
C21H38O2
Molecular Weight:
322.5252
IUPAC Name:
propyl octadeca-9,12-dienoate
InChI:
InChI=1S/C21H38O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(22)23-20-4-2/h8-9,11-12H,3-7,10,13-20H2,1-2H3
InChI Key:
AJAMRCUNWLZBDF-UHFFFAOYSA-N
SMILES:
CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCCC
Properties
Complexity:
305
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
322.287g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
322.533g/mol
Monoisotopic Mass:
322.287g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
7.8
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