82788-00-9
6-(HYDROXYMETHYL)-4-METHOXY-BENZO[B]THIOPHENE-2-CARBOXYLIC ACID METHYL ESTER
Name6-(HYDROXYMETHYL)-4-METHOXY-BENZO[B]THIOPHENE-2-CARBOXYLIC ACID METHYL ESTER
1Identification
【Name】
6-(HYDROXYMETHYL)-4-METHOXY-BENZO[B]THIOPHENE-2-CARBOXYLIC ACID METHYL ESTER
【CAS】
【MDL】
MFCD13180941
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C12H12O4S
【pro_molWeight】
252.289
【Inchi】
InChI=1S/C12H12O4S/c1-15-9-3-7(6-13)4-10-8(9)5-11(17-10)12(14)16-2/h3-5,13H,6H2,1-2H3
【InChIKey】
InChIKey=HRZPEABQBDAVBN-UHFFFAOYSA-N
【SMILES】
COC(=O)C1=CC2=C(S1)C=C(C=C2OC)CO
【MOL File】
6-(HYDROXYMETHYL)-4-….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:1
pro_acceptors:4
XLogP3:1.9878
Bulk/Fine:F
3MaterialMSDS
4CMLFile
6-(HYDROXYMETHYL)-4-METHOXY-BENZO[B]THIOPHENE-2-CARBOXYLIC ACID METHYL ESTER.cml