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94592-93-5 | 4H-Pyrido[1,2-a]pyrimidin-4-one, 3-butyl-2-hydroxy-
CAS No: 94592-93-5 Catalog No: AG00H5ZP MDL No:MFCD00517747
Product Description
Catalog Number:
AG00H5ZP
Chemical Name:
4H-Pyrido[1,2-a]pyrimidin-4-one, 3-butyl-2-hydroxy-
CAS Number:
94592-93-5
Molecular Formula:
C12H14N2O2
Molecular Weight:
218.2518
MDL Number:
MFCD00517747
IUPAC Name:
3-butyl-2-hydroxypyrido[1,2-a]pyrimidin-4-one
InChI:
InChI=1S/C12H14N2O2/c1-2-3-6-9-11(15)13-10-7-4-5-8-14(10)12(9)16/h4-5,7-8,15H,2-3,6H2,1H3
InChI Key:
DILLAEPULZNINL-UHFFFAOYSA-N
SMILES:
CCCCc1c(O)nc2n(c1=O)cccc2
Properties
Complexity:
430
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.106g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
218.256g/mol
Monoisotopic Mass:
218.106g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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