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13210-29-2 | Ethanone, 1-(3-hydroxy-2-pyridinyl)-
CAS No: 13210-29-2 Catalog No: AG00108H MDL No:MFCD08062669
Product Description
Catalog Number:
AG00108H
Chemical Name:
Ethanone, 1-(3-hydroxy-2-pyridinyl)-
CAS Number:
13210-29-2
Molecular Formula:
C7H7NO2
Molecular Weight:
137.1360
MDL Number:
MFCD08062669
IUPAC Name:
1-(3-hydroxypyridin-2-yl)ethanone
InChI:
InChI=1S/C7H7NO2/c1-5(9)7-6(10)3-2-4-8-7/h2-4,10H,1H3
InChI Key:
DYFSAZGSIBFUAI-UHFFFAOYSA-N
SMILES:
CC(=O)c1ncccc1O
Properties
Complexity:
136
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
137.048g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
137.138g/mol
Monoisotopic Mass:
137.048g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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