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Home > Pyridines > 125493-24-5
125493-24-5 | 4H-Pyrido[1,2-a]pyrimidin-4-one, 2-hydroxy-3-(3-methyl-2-buten-1-yl)-
CAS No: 125493-24-5 Catalog No: AG000NQB MDL No:
Product Description
Catalog Number:
AG000NQB
Chemical Name:
4H-Pyrido[1,2-a]pyrimidin-4-one, 2-hydroxy-3-(3-methyl-2-buten-1-yl)-
CAS Number:
125493-24-5
Molecular Formula:
C13H14N2O2
Molecular Weight:
230.2625
IUPAC Name:
2-hydroxy-3-(3-methylbut-2-enyl)pyrido[1,2-a]pyrimidin-4-one
InChI:
InChI=1S/C13H14N2O2/c1-9(2)6-7-10-12(16)14-11-5-3-4-8-15(11)13(10)17/h3-6,8,16H,7H2,1-2H3
InChI Key:
OFUSHWSPUHAWJW-UHFFFAOYSA-N
SMILES:
CC(=CCc1c(O)nc2n(c1=O)cccc2)C
Properties
Complexity:
504
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.106g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
230.267g/mol
Monoisotopic Mass:
230.106g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
52.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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