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3-methyl-2-indolate

PropertiesImage
MNX_IDMNXM150952 Image of MNXM150952
referencechebi:85502
formulaC10H8NO2
global charge-1
mol weight174.179
InChIKeyNCXGWFIXUJHVLI-UHFFFAOYSA-M
InChIInChI=1S/C10H9NO2/c1-6-7-4-2-3-5-8(7)11-9(6)10(12)13/h2-5,11H,1H3,(H,12,13)/p-1
SMILESCC1=C(C(=O)[O-])NC2=CC=CC=C21
MNX internals
InChI (mnx)InChI=1/C10H9NO2/c1-6-7-4-2-3-5-8(7)11-9(6)10(12)13/h2-5,11H,1H3,(H,12,13) Image of MNXM150952
SMILES (mnx)[CH3:1][C:6]1=[C:9]([C:10](=[O:12])[OH:13])[NH:11][C:8]2=[CH:5][CH:3]=[CH:2][CH:4]=[C:7]12
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:85502
chebi:85502
NCXGWFIXUJHVLI-UHFFFAOYSA-M
3-methyl-2-indolate
3-methyl-1H-indole-2-carboxylate
3-methylindole-2-carboxylate

CHEBI:85902
chebi:85902
NCXGWFIXUJHVLI-UHFFFAOYSA-N
3-methyl-2-indolic acid
3-methyl-1H-indole-2-carboxylic acid
3-methylindole-2-carboxylic acid