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Home > Pyridines > 926271-64-9
926271-64-9 | 2-(hydroxymethyl)-4H-pyrido[1,2-a]pyrimidin-4-one
CAS No: 926271-64-9 Catalog No: AG019VEH MDL No:MFCD08443379
Product Description
Catalog Number:
AG019VEH
Chemical Name:
2-(hydroxymethyl)-4H-pyrido[1,2-a]pyrimidin-4-one
CAS Number:
926271-64-9
Molecular Formula:
C9H8N2O2
Molecular Weight:
176.1720
MDL Number:
MFCD08443379
IUPAC Name:
2-(hydroxymethyl)pyrido[1,2-a]pyrimidin-4-one
InChI:
InChI=1S/C9H8N2O2/c12-6-7-5-9(13)11-4-2-1-3-8(11)10-7/h1-5,12H,6H2
InChI Key:
MRQCHCNWYBFWPD-UHFFFAOYSA-N
SMILES:
OCc1cc(=O)n2c(n1)cccc2
Properties
Complexity:
364
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.059g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
176.175g/mol
Monoisotopic Mass:
176.059g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
52.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
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