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Home > Pyridines > 1803598-30-2
1803598-30-2 | 3-methyl-3H,4H,5H,6H,7H,8H-pyrido[3,4-d]pyrimidin-4-one dihydrochloride
CAS No: 1803598-30-2 Catalog No: AG01BDHK MDL No:MFCD28064227
Product Description
Catalog Number:
AG01BDHK
Chemical Name:
3-methyl-3H,4H,5H,6H,7H,8H-pyrido[3,4-d]pyrimidin-4-one dihydrochloride
CAS Number:
1803598-30-2
Molecular Formula:
C8H13Cl2N3O
Molecular Weight:
238.1143
MDL Number:
MFCD28064227
IUPAC Name:
3-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one;dihydrochloride
InChI:
InChI=1S/C8H11N3O.2ClH/c1-11-5-10-7-4-9-3-2-6(7)8(11)12;;/h5,9H,2-4H2,1H3;2*1H
InChI Key:
JFTFYKHHNCVWEY-UHFFFAOYSA-N
SMILES:
Cn1cnc2c(c1=O)CCNC2.Cl.Cl
Properties
Complexity:
280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.044g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
238.112g/mol
Monoisotopic Mass:
237.044g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
44.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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