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860360-11-8
1-BENZYL-1H-INDOLE-4-CARBOXYLIC ACID
Name
1-BENZYL-1H-INDOLE-4-CARBOXYLIC ACID
Formula
C16 H13 N O2
MolWeight
251.284
1Identification
【Name】
1-BENZYL-1H-INDOLE-4-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD11519413
【English Synonyms】
【Formula】
C16 H13 N O2
【MolWeight】
251.284
【Inchi】
InChI=1S/C16H13NO2/c18-16(19)14-7-4-8-15-13(14)9-10-17(15)11-12-5-2-1-3-6-12/h1-10H,11H2,(H,18,19)
【InChIKey】
InChIKey=WVXSTRTULSOSHC-UHFFFAOYSA-N
【SMILES】
c1ccc(cc1)Cn2ccc3c2cccc3C(=O)O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:3
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-BENZYL-1H-INDOLE-4-CARBOXYLIC ACID.cml
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