915919-65-2
(4,7-DIMETHYL-2-OXO-2,3-DIHYDRO-1H-INDOL-3-YL)ACETIC ACID
Name(4,7-DIMETHYL-2-OXO-2,3-DIHYDRO-1H-INDOL-3-YL)ACETIC ACID
1Identification
【Name】
(4,7-DIMETHYL-2-OXO-2,3-DIHYDRO-1H-INDOL-3-YL)ACETIC ACID
【CAS】
【MDL】
MFCD08059749
【English Synonyms】
【Formula】
C12 H13 N O3
【MolWeight】
219.239
【Inchi】
InChI=1S/C12H13NO3/c1-6-3-4-7(2)11-10(6)8(5-9(14)15)12(16)13-11/h3-4,8H,5H2,1-2H3,(H,13,16)(H,14,15)
【InChIKey】
InChIKey=SOSVVLLFFNVGFR-UHFFFAOYSA-N
【SMILES】
Cc1ccc(c2c1C(C(=O)N2)CC(=O)O)C
【MOL File】
(4,7-DIMETHYL-2-OXO-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:4
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
(4,7-DIMETHYL-2-OXO-2,3-DIHYDRO-1H-INDOL-3-YL)ACETIC ACID.cml