847588-85-6
4-(2,3-DIHYDRO-1H-INDEN-5-YLAMINO)-4-OXOBUTANOIC ACID
Name4-(2,3-DIHYDRO-1H-INDEN-5-YLAMINO)-4-OXOBUTANOIC ACID
1Identification
【Name】
4-(2,3-DIHYDRO-1H-INDEN-5-YLAMINO)-4-OXOBUTANOIC ACID
【CAS】
【MDL】
MFCD06065713
【English Synonyms】
【Formula】
C13 H15 N O3
【MolWeight】
233.266
【Inchi】
InChI=1S/C13H15NO3/c15-12(6-7-13(16)17)14-11-5-4-9-2-1-3-10(9)8-11/h4-5,8H,1-3,6-7H2,(H,14,15)(H,16,17)
【InChIKey】
InChIKey=XHCKXCXPITWYAM-UHFFFAOYSA-N
【SMILES】
c1cc2c(cc1NC(=O)CCC(=O)O)CCC2
【MOL File】
4-(2,3-DIHYDRO-1H-IN….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:4
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-(2,3-DIHYDRO-1H-INDEN-5-YLAMINO)-4-OXOBUTANOIC ACID.cml