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53654-42-5 | [4-(hydroxymethyl)pyridin-3-yl]methanol hydrochloride
CAS No: 53654-42-5 Catalog No: AG00I9KF MDL No:
Product Description
Catalog Number:
AG00I9KF
Chemical Name:
[4-(hydroxymethyl)pyridin-3-yl]methanol hydrochloride
CAS Number:
53654-42-5
Molecular Formula:
C7H10ClNO2
Molecular Weight:
175.6128
IUPAC Name:
[3-(hydroxymethyl)pyridin-4-yl]methanol;hydrochloride
InChI:
InChI=1S/C7H9NO2.ClH/c9-4-6-1-2-8-3-7(6)5-10;/h1-3,9-10H,4-5H2;1H
InChI Key:
KRZRQRQGRZBMDP-UHFFFAOYSA-N
SMILES:
OCc1cnccc1CO.Cl
Properties
Complexity:
97.6
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.04g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
175.612g/mol
Monoisotopic Mass:
175.04g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
53.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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