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21038-66-4 | PYRIDO[2,3-D]PYRIMIDINE-2,4(1H,3H)-DIONE
CAS No: 21038-66-4 Catalog No: AG002KR8 MDL No:MFCD08234704
Product Description
Catalog Number:
AG002KR8
Chemical Name:
PYRIDO[2,3-D]PYRIMIDINE-2,4(1H,3H)-DIONE
CAS Number:
21038-66-4
Molecular Formula:
C7H5N3O2
Molecular Weight:
163.1335
MDL Number:
MFCD08234704
IUPAC Name:
1H-pyrido[2,3-d]pyrimidine-2,4-dione
InChI:
InChI=1S/C7H5N3O2/c11-6-4-2-1-3-8-5(4)9-7(12)10-6/h1-3H,(H2,8,9,10,11,12)
InChI Key:
JQPYINKVAWEQDQ-UHFFFAOYSA-N
SMILES:
O=c1[nH]c2ncccc2c(=O)[nH]1
NSC Number:
112519
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.038g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
163.136g/mol
Monoisotopic Mass:
163.038g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
71.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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