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70381-49-6 | 3-benzyl-9-hydroxy-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
CAS No: 70381-49-6 Catalog No: AG01DWM2 MDL No:
Product Description
Catalog Number:
AG01DWM2
Chemical Name:
3-benzyl-9-hydroxy-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
CAS Number:
70381-49-6
Molecular Formula:
C16H14N2O2
Molecular Weight:
266.2946
IUPAC Name:
3-benzyl-9-hydroxy-2-methylpyrido[1,2-a]pyrimidin-4-one
InChI:
InChI=1S/C16H14N2O2/c1-11-13(10-12-6-3-2-4-7-12)16(20)18-9-5-8-14(19)15(18)17-11/h2-9,19H,10H2,1H3
InChI Key:
KPDRHTBABOHAAC-UHFFFAOYSA-N
SMILES:
Cc1nc2c(O)cccn2c(=O)c1Cc1ccccc1
Properties
Complexity:
549
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.106g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
266.3g/mol
Monoisotopic Mass:
266.106g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
52.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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