Cas no 154629-11-5 (methyl 4-(hydroxymethyl)-1-benzothiophene-2-carboxylate)

methyl 4-(hydroxymethyl)-1-benzothiophene-2-carboxylate structure
154629-11-5 structure
Product Name:methyl 4-(hydroxymethyl)-1-benzothiophene-2-carboxylate
CAS No:154629-11-5
MF:C11H10O3S
MW:222.260302066803
CID:1329211
Update Time:2024-08-18

methyl 4-(hydroxymethyl)-1-benzothiophene-2-carboxylate Chemical and Physical Properties

Names and Identifiers

    • methyl 4-(hydroxymethyl)-1-benzothiophene-2-carboxylate
    • Methyl-4-(hydroxymethyl)-1-benzothiophen-2-carboxylat
    • LogP
    • Methyl-4-(hydroxymethyl)-1-benzothiophen-2-carboxylat; LogP
    • Benzo[b]thiophene-2-carboxylic acid, 4-(hydroxymethyl)-, methyl ester
    • Inchi: 1S/C11H10O3S/c1-14-11(13)10-5-8-7(6-12)3-2-4-9(8)15-10/h2-5,12H,6H2,1H3
    • InChI Key: NNHOWHKLEQOLII-UHFFFAOYSA-N
    • SMILES: C12=CC=CC(CO)=C1C=C(C(OC)=O)S2

Computed Properties

  • Exact Mass: 222.0351

Experimental Properties

  • Density: 1.349±0.06 g/cm3(Predicted)
  • Boiling Point: 393.0±27.0 °C(Predicted)
  • PSA: 46.53
  • pka: 14.09±0.10(Predicted)

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