55307-37-4
1,3-DIMETHYL-2,4-DIOXO-2,3,4,7-TETRAHYDRO-1H-PYRROLO[2,3-D]PYRIMIDINE-6-CARBOXYLIC ACID
Name
1,3-DIMETHYL-2,4-DIOXO-2,3,4,7-TETRAHYDRO-1H-PYRROLO[2,3-D]PYRIMIDINE-6-CARBOXYLIC ACID
Formula
C9 H9 N3 O4
MolWeight
223.187
1Identification
【Name】
1,3-DIMETHYL-2,4-DIOXO-2,3,4,7-TETRAHYDRO-1H-PYRROLO[2,3-D]PYRIMIDINE-6-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD11655622
【English Synonyms】
【Formula】
C9 H9 N3 O4
【MolWeight】
223.187
【Inchi】
InChI=1S/C9H9N3O4/c1-11-6-4(3-5(10-6)8(14)15)7(13)12(2)9(11)16/h3,10H,1-2H3,(H,14,15)
【InChIKey】
InChIKey=DXQAFUQFCYEXLL-UHFFFAOYSA-N
【SMILES】
Cn1c2c(cc([nH]2)C(=O)O)c(=O)n(c1=O)C
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:7
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1,3-DIMETHYL-2,4-DIOXO-2,3,4,7-TETRAHYDRO-1H-PYRROLO[2,3-D]PYRIMIDINE-6-CARBOXYLIC ACID.cml
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