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27330-18-3 | 5-(Hydroxymethyl)-1-methylpyridin-2(1H)-one
CAS No: 27330-18-3 Catalog No: AG003A74 MDL No:MFCD17015927
Product Description
Catalog Number:
AG003A74
Chemical Name:
5-(Hydroxymethyl)-1-methylpyridin-2(1H)-one
CAS Number:
27330-18-3
Molecular Formula:
C7H9NO2
Molecular Weight:
139.1519
MDL Number:
MFCD17015927
IUPAC Name:
5-(hydroxymethyl)-1-methylpyridin-2-one
InChI:
InChI=1S/C7H9NO2/c1-8-4-6(5-9)2-3-7(8)10/h2-4,9H,5H2,1H3
InChI Key:
JTHPCDBYSXVGFM-UHFFFAOYSA-N
SMILES:
OCc1ccc(=O)n(c1)C
Properties
Complexity:
206
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
139.063g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
139.154g/mol
Monoisotopic Mass:
139.063g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9
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