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Home > Pyridines > 128352-76-1
128352-76-1 | Pyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione, 3-(2-propyn-1-yl)-
CAS No: 128352-76-1 Catalog No: AG000XZW MDL No:
Product Description
Catalog Number:
AG000XZW
Chemical Name:
Pyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione, 3-(2-propyn-1-yl)-
CAS Number:
128352-76-1
Molecular Formula:
C10H7N3O2
Molecular Weight:
201.1815
IUPAC Name:
3-prop-2-ynyl-1H-pyrido[2,3-d]pyrimidine-2,4-dione
InChI:
InChI=1S/C10H7N3O2/c1-2-6-13-9(14)7-4-3-5-11-8(7)12-10(13)15/h1,3-5H,6H2,(H,11,12,15)
InChI Key:
LLNAVNKKJYZHPP-UHFFFAOYSA-N
SMILES:
C#CCn1c(=O)[nH]c2c(c1=O)cccn2
Properties
Complexity:
344
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.054g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
201.185g/mol
Monoisotopic Mass:
201.054g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
62.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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