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62511-97-1 | N-methylpyridoxine
CAS No: 62511-97-1 Catalog No: AG00F5FJ MDL No:
Product Description
Catalog Number:
AG00F5FJ
Chemical Name:
N-methylpyridoxine
CAS Number:
62511-97-1
IUPAC Name:
4,5-bis(hydroxymethyl)-1,2-dimethylpyridin-1-ium-3-ol;chloride
InChI:
InChI=1S/C9H13NO3.ClH/c1-6-9(13)8(5-12)7(4-11)3-10(6)2;/h3,11-12H,4-5H2,1-2H3;1H
InChI Key:
STIQRXXTOUJHOU-UHFFFAOYSA-N
Properties
Complexity:
165
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.066g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
219.665g/mol
Monoisotopic Mass:
219.066g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
64.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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