690632-04-3
2-(2,3-DIHYDRO-1-BENZOFURAN-5-YL)-4-METHYL-1,3-THIAZOLE-5-CARBOXYLIC ACID
Name2-(2,3-DIHYDRO-1-BENZOFURAN-5-YL)-4-METHYL-1,3-THIAZOLE-5-CARBOXYLIC ACID
1Identification
【Name】
2-(2,3-DIHYDRO-1-BENZOFURAN-5-YL)-4-METHYL-1,3-THIAZOLE-5-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD01313483
【English Synonyms】
【Formula】
C13 H11 N O3 S
【MolWeight】
261.3
【Inchi】
InChI=1S/C13H11NO3S/c1-7-11(13(15)16)18-12(14-7)9-2-3-10-8(6-9)4-5-17-10/h2-3,6H,4-5H2,1H3,(H,15,16)
【InChIKey】
InChIKey=DCXMMNGTUXDRND-UHFFFAOYSA-N
【SMILES】
Cc1c(sc(n1)c2ccc3c(c2)CCO3)C(=O)O
【MOL File】
2-(2,3-DIHYDRO-1-BEN….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:3.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
2-(2,3-DIHYDRO-1-BENZOFURAN-5-YL)-4-METHYL-1,3-THIAZOLE-5-CARBOXYLIC ACID.cml