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59599-61-0 | PYRIDOXINE DIOCTENOATE
CAS No: 59599-61-0 Catalog No: AG00EDKI MDL No:
Product Description
Catalog Number:
AG00EDKI
Chemical Name:
PYRIDOXINE DIOCTENOATE
CAS Number:
59599-61-0
IUPAC Name:
[5-hydroxy-6-methyl-4-[[(E)-oct-2-enoyl]oxymethyl]pyridin-3-yl]methyl (E)-oct-2-enoate
InChI:
InChI=1S/C24H35NO5/c1-4-6-8-10-12-14-22(26)29-17-20-16-25-19(3)24(28)21(20)18-30-23(27)15-13-11-9-7-5-2/h12-16,28H,4-11,17-18H2,1-3H3/b14-12+,15-13+
InChI Key:
ILINSGSXAQOTLC-QUMQEAAQSA-N
Properties
Complexity:
546
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
2
Exact Mass:
417.252g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
417.546g/mol
Monoisotopic Mass:
417.252g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
85.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
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