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52761-08-7 | 3-hydroxymethylpyridinium chloride
CAS No: 52761-08-7 Catalog No: AG00DYEK MDL No:
Product Description
Catalog Number:
AG00DYEK
Chemical Name:
3-hydroxymethylpyridinium chloride
CAS Number:
52761-08-7
IUPAC Name:
pyridin-3-ylmethanol;hydrochloride
InChI:
InChI=1S/C6H7NO.ClH/c8-5-6-2-1-3-7-4-6;/h1-4,8H,5H2;1H
InChI Key:
BPNQTQDUQIZJOW-UHFFFAOYSA-N
EC Number:
258-156-2
Properties
Complexity:
65.5
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
145.029g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
145.586g/mol
Monoisotopic Mass:
145.029g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
33.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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