838850-72-9
2-(2-OXOBENZO[CD]INDOL-1(2H)-YL)PROPANOIC ACID
Name2-(2-OXOBENZO[CD]INDOL-1(2H)-YL)PROPANOIC ACID
1Identification
【Name】
2-(2-OXOBENZO[CD]INDOL-1(2H)-YL)PROPANOIC ACID
【CAS】
【MDL】
MFCD06633017
【English Synonyms】
【Formula】
C14 H11 N O3
【MolWeight】
241.245
【Inchi】
InChI=1S/C14H11NO3/c1-8(14(17)18)15-11-7-3-5-9-4-2-6-10(12(9)11)13(15)16/h2-8H,1H3,(H,17,18)
【InChIKey】
InChIKey=JFJNKFCRNNIBAI-UHFFFAOYSA-N
【SMILES】
CC(C(=O)O)N1c2cccc3c2c(ccc3)C1=O
【MOL File】
2-(2-OXOBENZO[CD]IND….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-(2-OXOBENZO[CD]INDOL-1(2H)-YL)PROPANOIC ACID.cml