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51861-91-7 | Linoleic acid 3-pyridylmethyl ester
CAS No: 51861-91-7 Catalog No: AG00E29H MDL No:
Product Description
Catalog Number:
AG00E29H
Chemical Name:
Linoleic acid 3-pyridylmethyl ester
CAS Number:
51861-91-7
IUPAC Name:
pyridin-3-ylmethyl (9Z,12Z)-octadeca-9,12-dienoate
InChI:
InChI=1S/C24H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-24(26)27-22-23-18-17-20-25-21-23/h6-7,9-10,17-18,20-21H,2-5,8,11-16,19,22H2,1H3/b7-6-,10-9-
InChI Key:
CBIJRFCIJWDVAB-HZJYTTRNSA-N
Properties
Complexity:
403
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
2
Exact Mass:
371.282g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
371.565g/mol
Monoisotopic Mass:
371.282g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.3
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