91996-88-2
1H-PYRROLO[3,2-D]PYRIMIDINE-6-CARBOXYLIC ACID, 2,3,4,5-TETRAHYDRO-2,4-DIOXO-
Name1H-PYRROLO[3,2-D]PYRIMIDINE-6-CARBOXYLIC ACID, 2,3,4,5-TETRAHYDRO-2,4-DIOXO-
1Identification
【Name】
1H-PYRROLO[3,2-D]PYRIMIDINE-6-CARBOXYLIC ACID, 2,3,4,5-TETRAHYDRO-2,4-DIOXO-
【CAS】
【MDL】
MFCD17013913
【English Synonyms】
【Formula】
C7 H5 N3 O4
【MolWeight】
195.133
【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)
【InChIKey】
InChIKey=RBHWIRGNCLXAJS-UHFFFAOYSA-N
【SMILES】
c1c2c(c(=O)[nH]c(=O)[nH]2)[nH]c1C(=O)O
【MOL File】
1H-PYRROLO[3,2-D]PYR….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:4
H bond acceptor:7
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1H-PYRROLO[3,2-D]PYRIMIDINE-6-CARBOXYLIC ACID, 2,3,4,5-TETRAHYDRO-2,4-DIOXO-.cml