955886-86-9
4-HYDROXY-BENZOTHIAZOLE-6-CARBOXYLIC ACID METHYL ESTER
Name4-HYDROXY-BENZOTHIAZOLE-6-CARBOXYLIC ACID METHYL ESTER
1Identification
【Name】
4-HYDROXY-BENZOTHIAZOLE-6-CARBOXYLIC ACID METHYL ESTER
【CAS】
【MDL】
MFCD17011795
【English Synonyms】
【Formula】
C9 H7 N O3 S
【MolWeight】
209.224
【Inchi】
InChI=1S/C9H7NO3S/c1-13-9(12)5-2-6(11)8-7(3-5)14-4-10-8/h2-4,11H,1H3
【InChIKey】
InChIKey=MINVRJODYUVTHC-UHFFFAOYSA-N
【SMILES】
COC(=O)c1cc(c2c(c1)scn2)O
【MOL File】
4-HYDROXY-BENZOTHIAZ….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-HYDROXY-BENZOTHIAZOLE-6-CARBOXYLIC ACID METHYL ESTER.cml