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91996-88-2 | 2,4-dioxo-2,3,4,5-tetrahydro-1h-pyrrolo[3,2-d]pyrimidine-6-carboxylic acid
CAS No: 91996-88-2 Catalog No: AG006GCB MDL No:
Product Description
Catalog Number:
AG006GCB
Chemical Name:
2,4-dioxo-2,3,4,5-tetrahydro-1h-pyrrolo[3,2-d]pyrimidine-6-carboxylic acid
CAS Number:
91996-88-2
Molecular Formula:
C7H5N3O4
Molecular Weight:
195.1323
IUPAC Name:
2,4-dioxo-1,5-dihydropyrrolo[3,2-d]pyrimidine-6-carboxylic acid
InChI:
InChI=1S/C7H5N3O4/c11-5-4-2(9-7(14)10-5)1-3(8-4)6(12)13/h1,8H,(H,12,13)(H2,9,10,11,14)
InChI Key:
RBHWIRGNCLXAJS-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc2c([nH]1)c(=O)[nH]c(=O)[nH]2
NSC Number:
90991
Properties
Complexity:
316
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.028g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
195.134g/mol
Monoisotopic Mass:
195.028g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
111A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
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