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20221-23-2 | 12-Octadecenoic acid, methyl ester, (12E)-
CAS No: 20221-23-2 Catalog No: AG00284Z MDL No:
Product Description
Catalog Number:
AG00284Z
Chemical Name:
12-Octadecenoic acid, methyl ester, (12E)-
CAS Number:
20221-23-2
Molecular Formula:
C19H36O2
Molecular Weight:
296.4879
IUPAC Name:
methyl octadec-12-enoate
InChI:
InChI=1S/C19H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h7-8H,3-6,9-18H2,1-2H3
InChI Key:
LMWAESDDOGRMOK-UHFFFAOYSA-N
SMILES:
CCCCC/C=C/CCCCCCCCCCC(=O)OC
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.272g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
296.495g/mol
Monoisotopic Mass:
296.272g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
7.6
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