58664-93-0
3-(CARBOXYMETHYL)-1-METHYL-1H-INDOLE-2-CARBOXYLIC ACID
Name
3-(CARBOXYMETHYL)-1-METHYL-1H-INDOLE-2-CARBOXYLIC ACID
Formula
C12 H11 N O4
MolWeight
233.222
1Identification
【Name】
3-(CARBOXYMETHYL)-1-METHYL-1H-INDOLE-2-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD00228988
【English Synonyms】
【Formula】
C12 H11 N O4
【MolWeight】
233.222
【Inchi】
InChI=1S/C12H11NO4/c1-13-9-5-3-2-4-7(9)8(6-10(14)15)11(13)12(16)17/h2-5H,6H2,1H3,(H,14,15)(H,16,17)
【InChIKey】
InChIKey=JOKUEFCTYPOURQ-UHFFFAOYSA-N
【SMILES】
Cn1c2ccccc2c(c1C(=O)O)CC(=O)O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:5
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-(CARBOXYMETHYL)-1-METHYL-1H-INDOLE-2-CARBOXYLIC ACID.cml
Quick Release
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