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21038-67-5 | Pyrido[3,4-d]pyrimidine-2,4(1H,3H)-dione
CAS No: 21038-67-5 Catalog No: AG002KR7 MDL No:MFCD07438024
Product Description
Catalog Number:
AG002KR7
Chemical Name:
Pyrido[3,4-d]pyrimidine-2,4(1H,3H)-dione
CAS Number:
21038-67-5
Molecular Formula:
C7H5N3O2
Molecular Weight:
163.1335
MDL Number:
MFCD07438024
IUPAC Name:
1H-pyrido[3,4-d]pyrimidine-2,4-dione
InChI:
InChI=1S/C7H5N3O2/c11-6-4-1-2-8-3-5(4)9-7(12)10-6/h1-3H,(H2,9,10,11,12)
InChI Key:
MNNWQAIAFUMNOS-UHFFFAOYSA-N
SMILES:
O=c1[nH]c2cnccc2c(=O)[nH]1
NSC Number:
127963
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:
-0.6
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