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Home > Pyridines > 1708080-85-6
1708080-85-6 | 5-methyl-3H,4H,5H,6H,7H,8H-pyrido[2,3-d]pyrimidin-4-one
CAS No: 1708080-85-6 Catalog No: AG01C1XD MDL No:MFCD26383135
Product Description
Catalog Number:
AG01C1XD
Chemical Name:
5-methyl-3H,4H,5H,6H,7H,8H-pyrido[2,3-d]pyrimidin-4-one
CAS Number:
1708080-85-6
Molecular Formula:
C8H11N3O
Molecular Weight:
165.1924
MDL Number:
MFCD26383135
IUPAC Name:
5-methyl-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one
InChI:
InChI=1S/C8H11N3O/c1-5-2-3-9-7-6(5)8(12)11-4-10-7/h4-5H,2-3H2,1H3,(H2,9,10,11,12)
InChI Key:
UNJVAHNRXRWGOJ-UHFFFAOYSA-N
SMILES:
CC1CCNc2c1c(=O)[nH]cn2
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:
2
Isotope Atom Count:
0
Molecular Weight:
165.196g/mol
Monoisotopic Mass:
165.09g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
53.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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