123604-27-3
4-NITROINDOLE-3-CARBOXYLIC ACID
Name
4-NITROINDOLE-3-CARBOXYLIC ACID
Formula
C9 H6 N2 O4
MolWeight
206.156
1Identification
【Name】
4-NITROINDOLE-3-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD07776774
【English Synonyms】
【Formula】
C9 H6 N2 O4
【MolWeight】
206.156
【Inchi】
InChI=1S/C9H6N2O4/c12-9(13)5-4-10-6-2-1-3-7(8(5)6)11(14)15/h1-4,10H,(H,12,13)
【InChIKey】
InChIKey=BYWPORVVGREGBC-UHFFFAOYSA-N
【SMILES】
c1cc2c(c(c1)[N+](=O)[O-])c(c[nH]2)C(=O)O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:6
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-NITROINDOLE-3-CARBOXYLIC ACID.cml
Quick Release
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