101004-95-9
1,3-DIHYDRO-1-OXO-ALPHA-PHENYL-2H-ISOINDOLE-2-ACETIC ACID
Name1,3-DIHYDRO-1-OXO-ALPHA-PHENYL-2H-ISOINDOLE-2-ACETIC ACID
1Identification
【Name】
1,3-DIHYDRO-1-OXO-ALPHA-PHENYL-2H-ISOINDOLE-2-ACETIC ACID
【CAS】
【MDL】
MFCD02571658
【English Synonyms】
【Formula】
C16 H13 N O3
【MolWeight】
267.283
【Inchi】
InChI=1S/C16H13NO3/c18-15-13-9-5-4-8-12(13)10-17(15)14(16(19)20)11-6-2-1-3-7-11/h1-9,14H,10H2,(H,19,20)
【InChIKey】
InChIKey=PNOHRUSRGMQJPS-UHFFFAOYSA-N
【SMILES】
c1ccc(cc1)C(C(=O)O)N2Cc3ccccc3C2=O
【MOL File】
1,3-DIHYDRO-1-OXO-AL….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
1,3-DIHYDRO-1-OXO-ALPHA-PHENYL-2H-ISOINDOLE-2-ACETIC ACID.cml