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2462-80-8 | 9,12-Hexadecadienoic acid, methyl ester
CAS No: 2462-80-8 Catalog No: AG002OT6 MDL No:
Product Description
Catalog Number:
AG002OT6
Chemical Name:
9,12-Hexadecadienoic acid, methyl ester
CAS Number:
2462-80-8
Molecular Formula:
C17H30O2
Molecular Weight:
266.4189
IUPAC Name:
methyl hexadeca-9,12-dienoate
InChI:
InChI=1S/C17H30O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19-2/h5-6,8-9H,3-4,7,10-16H2,1-2H3
InChI Key:
VYFSOVMGRZVLMP-UHFFFAOYSA-N
SMILES:
CCCC=CCC=CCCCCCCCC(=O)OC
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.225g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
266.425g/mol
Monoisotopic Mass:
266.225g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
5.8
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