Cas no 909421-70-1 (2-Thiophenecarboxylicacid, 5-(3-oxocyclohexyl)-, ethyl ester)

2-Thiophenecarboxylicacid, 5-(3-oxocyclohexyl)-, ethyl ester structure
909421-70-1 structure
Product Name:2-Thiophenecarboxylicacid, 5-(3-oxocyclohexyl)-, ethyl ester
CAS No:909421-70-1
MF:C13H16O3S
MW:252.329342842102
MDL:MFCD03841026
CID:797990
PubChem ID:24723381
Update Time:2025-07-29

2-Thiophenecarboxylicacid, 5-(3-oxocyclohexyl)-, ethyl ester Chemical and Physical Properties

Names and Identifiers

    • 2-Thiophenecarboxylicacid, 5-(3-oxocyclohexyl)-, ethyl ester
    • ETHYL 5-(3-OXOCYCLOHEXYL)-2-THIOPHENECARBOXYLATE
    • ethyl 5-(3-oxocyclohexyl)thiophene-2-carboxylate
    • ETHYL5-(3-OXOCYCLOHEXYL)-2-THIOPHENECARBOXYLATE
    • DTXSID50641821
    • 5-(3-oxo-cyclohexyl)-thiophene-2-carboxylic acid ethyl ester
    • MFCD03841026
    • AZKYIXHVSIWLAY-UHFFFAOYSA-N
    • AKOS016018847
    • SCHEMBL3668785
    • 909421-70-1
    • MDL: MFCD03841026
    • Inchi: 1S/C13H16O3S/c1-2-16-13(15)12-7-6-11(17-12)9-4-3-5-10(14)8-9/h6-7,9H,2-5,8H2,1H3
    • InChI Key: AZKYIXHVSIWLAY-UHFFFAOYSA-N
    • SMILES: S1C(C(=O)OCC)=CC=C1C1CC(CCC1)=O

Computed Properties

  • Exact Mass: 252.08200
  • Monoisotopic Mass: 252.08201554g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 4
  • Complexity: 303
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.4
  • Topological Polar Surface Area: 71.6?2

Experimental Properties

  • PSA: 71.61000
  • LogP: 3.15150

2-Thiophenecarboxylicacid, 5-(3-oxocyclohexyl)-, ethyl ester Customs Data

  • HS CODE:2934999090
  • Customs Data:

    China Customs Code:

    2934999090

    Overview:

    2934999090. Other heterocyclic compounds. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

2-Thiophenecarboxylicacid, 5-(3-oxocyclohexyl)-, ethyl ester Pricemore >>

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