530145-02-9
5-(HYDROXYMETHYL)-BENZO[B]THIOPHENE-2-CARBOXYLIC ACID ETHYL ESTER
Name5-(HYDROXYMETHYL)-BENZO[B]THIOPHENE-2-CARBOXYLIC ACID ETHYL ESTER
1Identification
【Name】
5-(HYDROXYMETHYL)-BENZO[B]THIOPHENE-2-CARBOXYLIC ACID ETHYL ESTER
【CAS】
【MDL】
MFCD13180852
【English Synonyms】
【Formula】
C12H12O3S
【MolWeight】
236.29
【Inchi】
InChI=1S/C12H12O3S/c1-2-15-12(14)11-6-9-5-8(7-13)3-4-10(9)16-11/h3-6,13H,2,7H2,1H3
【InChIKey】
InChIKey=NNJYQHRSFIOKMJ-UHFFFAOYSA-N
【SMILES】
C(C)OC(=O)C1=CC2=C(S1)C=CC(=C2)CO
【MOL File】
5-(HYDROXYMETHYL)-BE….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:3
XLogP3:2.398
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5-(HYDROXYMETHYL)-BENZO[B]THIOPHENE-2-CARBOXYLIC ACID ETHYL ESTER.cml