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24541-54-6 | Pyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione, 3-methyl-
CAS No: 24541-54-6 Catalog No: AG002OHM MDL No:
Product Description
Catalog Number:
AG002OHM
Chemical Name:
Pyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione, 3-methyl-
CAS Number:
24541-54-6
Molecular Formula:
C8H7N3O2
Molecular Weight:
177.1601
IUPAC Name:
3-methyl-1H-pyrido[2,3-d]pyrimidine-2,4-dione
InChI:
InChI=1S/C8H7N3O2/c1-11-7(12)5-3-2-4-9-6(5)10-8(11)13/h2-4H,1H3,(H,9,10,13)
InChI Key:
AFQXHZOZYFHQKE-UHFFFAOYSA-N
SMILES:
Cn1c(=O)[nH]c2c(c1=O)cccn2
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.054g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
177.163g/mol
Monoisotopic Mass:
177.054g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
62.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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