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Home > Pyridines > 1155238-81-5
1155238-81-5 | 3-butyl-9-hydroxy-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
CAS No: 1155238-81-5 Catalog No: AG01EMQU MDL No:
Product Description
Catalog Number:
AG01EMQU
Chemical Name:
3-butyl-9-hydroxy-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
CAS Number:
1155238-81-5
Molecular Formula:
C13H16N2O2
Molecular Weight:
232.2783
IUPAC Name:
3-butyl-9-hydroxy-2-methylpyrido[1,2-a]pyrimidin-4-one
InChI:
InChI=1S/C13H16N2O2/c1-3-4-6-10-9(2)14-12-11(16)7-5-8-15(12)13(10)17/h5,7-8,16H,3-4,6H2,1-2H3
InChI Key:
HPBMSAUODPCENM-UHFFFAOYSA-N
SMILES:
CCCCc1c(C)nc2n(c1=O)cccc2O
Properties
Complexity:
470
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.121g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
232.283g/mol
Monoisotopic Mass:
232.121g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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