52280-39-4
5-FORMYL-3-METHYL-1H-BENZO[G]INDOLE-2-CARBOXYLIC ACID
Name5-FORMYL-3-METHYL-1H-BENZO[G]INDOLE-2-CARBOXYLIC ACID
1Identification
【Name】
5-FORMYL-3-METHYL-1H-BENZO[G]INDOLE-2-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD20226364
【English Synonyms】
【Formula】
C15 H11 N O3
【MolWeight】
253.256
【Inchi】
InChI=1S/C15H11NO3/c1-8-12-6-9(7-17)10-4-2-3-5-11(10)14(12)16-13(8)15(18)19/h2-7,16H,1H3,(H,18,19)
【InChIKey】
InChIKey=YGHZPFZJTFDRJS-UHFFFAOYSA-N
【SMILES】
Cc1c2cc(c3ccccc3c2[nH]c1C(=O)O)C=O
【MOL File】
5-FORMYL-3-METHYL-1H….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:4
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5-FORMYL-3-METHYL-1H-BENZO[G]INDOLE-2-CARBOXYLIC ACID.cml