50469-21-1
4,7-DIHYDRO-4,7-DIOXO-1H-INDOLE-3-CARBOXYLIC ACID
Name
4,7-DIHYDRO-4,7-DIOXO-1H-INDOLE-3-CARBOXYLIC ACID
Formula
C9 H5 N O4
MolWeight
191.141
1Identification
【Name】
4,7-DIHYDRO-4,7-DIOXO-1H-INDOLE-3-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD20644666
【English Synonyms】
【Formula】
C9 H5 N O4
【MolWeight】
191.141
【Inchi】
InChI=1S/C9H5NO4/c11-5-1-2-6(12)8-7(5)4(3-10-8)9(13)14/h1-3,10H,(H,13,14)
【InChIKey】
InChIKey=WGYNRNHUDKJMPG-UHFFFAOYSA-N
【SMILES】
c1c(c2c([nH]1)C(=O)C=CC2=O)C(=O)O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:5
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4,7-DIHYDRO-4,7-DIOXO-1H-INDOLE-3-CARBOXYLIC ACID.cml
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