52560-24-4
1H-PYRROLO[3,4-B]PYRAZINE-2,3,5,7(4H,6H)-TETRONE
Name
1H-PYRROLO[3,4-B]PYRAZINE-2,3,5,7(4H,6H)-TETRONE
Formula
C6 H3 N3 O4
MolWeight
181.107
1Identification
【Name】
1H-PYRROLO[3,4-B]PYRAZINE-2,3,5,7(4H,6H)-TETRONE
【CAS】
【MDL】
MFCD18810519
【English Synonyms】
【Formula】
C6 H3 N3 O4
【MolWeight】
181.107
【Inchi】
InChI=1S/C6H3N3O4/c10-3-1-2(4(11)9-3)8-6(13)5(12)7-1/h(H,7,12)(H,8,13)(H,9,10,11)
【InChIKey】
InChIKey=JCQFLMWRKBYHKH-UHFFFAOYSA-N
【SMILES】
c12c([nH]c(=O)c(=O)[nH]1)C(=O)NC2=O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:7
XLogP3:-2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1H-PYRROLO[3,4-B]PYRAZINE-2,3,5,7(4H,6H)-TETRONE.cml
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