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Home > Pyridines > 127838-58-8
127838-58-8 | 2(1H)-Pyridinone, 4-(hydroxymethyl)-
CAS No: 127838-58-8 Catalog No: AG000XGD MDL No:MFCD17015983
Product Description
Catalog Number:
AG000XGD
Chemical Name:
2(1H)-Pyridinone, 4-(hydroxymethyl)-
CAS Number:
127838-58-8
Molecular Formula:
C6H7NO2
Molecular Weight:
125.1253
MDL Number:
MFCD17015983
IUPAC Name:
4-(hydroxymethyl)-1H-pyridin-2-one
InChI:
InChI=1S/C6H7NO2/c8-4-5-1-2-7-6(9)3-5/h1-3,8H,4H2,(H,7,9)
InChI Key:
NVWMXLBVGGYAQW-UHFFFAOYSA-N
SMILES:
OCc1cc[nH]c(=O)c1
Properties
Complexity:
182
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
125.048g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
125.127g/mol
Monoisotopic Mass:
125.048g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.1
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