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80360-03-8 | Pyrido[2,3-d]pyrimidine-6-carboxaldehyde, 2-amino-1,4-dihydro-4-oxo-
CAS No: 80360-03-8 Catalog No: AG005MAX MDL No:
Product Description
Catalog Number:
AG005MAX
Chemical Name:
Pyrido[2,3-d]pyrimidine-6-carboxaldehyde, 2-amino-1,4-dihydro-4-oxo-
CAS Number:
80360-03-8
Molecular Formula:
C8H6N4O2
Molecular Weight:
190.1588
IUPAC Name:
2-amino-4-oxo-3H-pyrido[2,3-d]pyrimidine-6-carbaldehyde
InChI:
InChI=1S/C8H6N4O2/c9-8-11-6-5(7(14)12-8)1-4(3-13)2-10-6/h1-3H,(H3,9,10,11,12,14)
InChI Key:
HSLNMYRHNPWYGO-UHFFFAOYSA-N
SMILES:
O=Cc1cnc2c(c1)c(=O)nc([nH]2)N
Properties
Complexity:
302
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.049g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
190.162g/mol
Monoisotopic Mass:
190.049g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
97.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.2
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