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1750-97-6 | 1-(pyridin-4-yl)ethane-1,2-diol hydrochloride
CAS No: 1750-97-6 Catalog No: AG01C0KA MDL No:MFCD30498040
Product Description
Catalog Number:
AG01C0KA
Chemical Name:
1-(pyridin-4-yl)ethane-1,2-diol hydrochloride
CAS Number:
1750-97-6
Molecular Formula:
C7H10ClNO2
Molecular Weight:
175.6128
MDL Number:
MFCD30498040
IUPAC Name:
1-pyridin-4-ylethane-1,2-diol;hydrochloride
InChI:
InChI=1S/C7H9NO2.ClH/c9-5-7(10)6-1-3-8-4-2-6;/h1-4,7,9-10H,5H2;1H
InChI Key:
PWMAEVMPUGUMLC-UHFFFAOYSA-N
SMILES:
OCC(c1ccncc1)O.Cl
Properties
Complexity:
91.6
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:
1
Undefined Bond Stereocenter Count:
0
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