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Home > Pyridines > 1461708-88-2
1461708-88-2 | 3-methyl-3H,4H,5H,6H,7H,8H-pyrido[3,4-d]pyrimidin-4-one
CAS No: 1461708-88-2 Catalog No: AG01A6OJ MDL No:MFCD25371858
Product Description
Catalog Number:
AG01A6OJ
Chemical Name:
3-methyl-3H,4H,5H,6H,7H,8H-pyrido[3,4-d]pyrimidin-4-one
CAS Number:
1461708-88-2
Molecular Formula:
C8H11N3O
Molecular Weight:
165.1924
MDL Number:
MFCD25371858
IUPAC Name:
3-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
InChI:
InChI=1S/C8H11N3O/c1-11-5-10-7-4-9-3-2-6(7)8(11)12/h5,9H,2-4H2,1H3
InChI Key:
LYWYQTFDWYZQHK-UHFFFAOYSA-N
SMILES:
Cn1cnc2c(c1=O)CCNC2
Properties
Complexity:
280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.09g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
165.196g/mol
Monoisotopic Mass:
165.09g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
44.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.1
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