831203-49-7
3-OXO-2-(TETRAHYDRO-FURAN-2-YLMETHYL)-2,3-DIHYDRO-1H-ISOINDOLE-4-CARBOXYLIC ACID
Name3-OXO-2-(TETRAHYDRO-FURAN-2-YLMETHYL)-2,3-DIHYDRO-1H-ISOINDOLE-4-CARBOXYLIC ACID
1Identification
【Name】
3-OXO-2-(TETRAHYDRO-FURAN-2-YLMETHYL)-2,3-DIHYDRO-1H-ISOINDOLE-4-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD06653226
【English Synonyms】
【Formula】
C14 H15 N O4
【MolWeight】
261.276
【Inchi】
InChI=1S/C14H15NO4/c16-13-12-9(3-1-5-11(12)14(17)18)7-15(13)8-10-4-2-6-19-10/h1,3,5,10H,2,4,6-8H2,(H,17,18)
【InChIKey】
InChIKey=VCTPYRUECQNABJ-UHFFFAOYSA-N
【SMILES】
c1cc2c(c(c1)C(=O)O)C(=O)N(C2)CC3CCCO3
【MOL File】
3-OXO-2-(TETRAHYDRO-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-OXO-2-(TETRAHYDRO-FURAN-2-YLMETHYL)-2,3-DIHYDRO-1H-ISOINDOLE-4-CARBOXYLIC ACID.cml