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39080-57-4 | 3-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
CAS No: 39080-57-4 Catalog No: AG01DWEC MDL No:MFCD00841549
Product Description
Catalog Number:
AG01DWEC
Chemical Name:
3-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
CAS Number:
39080-57-4
Molecular Formula:
C9H8N2O
Molecular Weight:
160.1726
MDL Number:
MFCD00841549
IUPAC Name:
3-methylpyrido[1,2-a]pyrimidin-4-one
InChI:
InChI=1S/C9H8N2O/c1-7-6-10-8-4-2-3-5-11(8)9(7)12/h2-6H,1H3
InChI Key:
CVQGFKKCKVAEIK-UHFFFAOYSA-N
SMILES:
Cc1cnc2n(c1=O)cccc2
Properties
Complexity:
348
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.064g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
160.176g/mol
Monoisotopic Mass:
160.064g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
32.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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