Cas no 22971-62-6 (5-Oxo-5-(thiophen-2-yl)pentanoic acid)

5-Oxo-5-(thiophen-2-yl)pentanoic acid structure
22971-62-6 structure
Product Name:5-Oxo-5-(thiophen-2-yl)pentanoic acid
CAS No:22971-62-6
MF:C9H10O3S
MW:198.238901615143
MDL:MFCD00151848
CID:282975
PubChem ID:255155
Update Time:2025-04-19

5-Oxo-5-(thiophen-2-yl)pentanoic acid Chemical and Physical Properties

Names and Identifiers

    • 5-Oxo-5-(thiophen-2-yl)pentanoic acid
    • 2-Thiophenepentanoicacid, d-oxo-
    • 5-oxo-5-thiophen-2-ylpentanoic acid
    • 5-Oxo-5-(2-thienyl)valeric acid
    • 5-oxo-5-thien-2-ylpentanoic acid
    • Z234895521
    • 4-(2-thienoyl)butyric acid
    • NSC80412
    • 5-(2-Thienoyl)butyric acid
    • 4-(2-thenoyl)butyric acid
    • 22971-62-6
    • EN300-29448
    • 5-oxo-5-(2-thienyl)pentanoic acid
    • W12925
    • MFCD00151848
    • A816451
    • 2-Thiophenepentanoic acid, delta-oxo-
    • NSC-80412
    • AKOS008101429
    • STR04830
    • NCGC00333494-01
    • 5-Oxo-5-(thiophen-2-yl)pentanoicacid
    • 5-(thien-2-yl)-5-oxopentanoic acid
    • AB01329103-02
    • A24242
    • SCHEMBL5179130
    • FT-0616563
    • DTXSID50292130
    • DB-046038
    • MDL: MFCD00151848
    • Inchi: 1S/C9H10O3S/c10-7(3-1-5-9(11)12)8-4-2-6-13-8/h2,4,6H,1,3,5H2,(H,11,12)
    • InChI Key: GSQMRVFOHNXKOR-UHFFFAOYSA-N
    • SMILES: S1C=CC=C1C(CCCC(=O)O)=O
    • BRN: 141775

Computed Properties

  • Exact Mass: 198.03500
  • Monoisotopic Mass: 198.035
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 5
  • Complexity: 203
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: 2
  • XLogP3: 1.4
  • Topological Polar Surface Area: 82.6A^2

Experimental Properties

  • Color/Form: Undetermined 2. density (g/ml, 25/4 ℃)
  • Density: 1.282
  • Melting Point: 94-97°C
  • Boiling Point: 407.8°C at 760 mmHg
  • Flash Point: 200.5°C
  • Refractive Index: 1.561
  • PSA: 82.61000
  • LogP: 2.18570

5-Oxo-5-(thiophen-2-yl)pentanoic acid Security Information

  • Hazard Category Code: 36/37/38
  • Safety Instruction: S26; S36
  • Storage Condition:Sealed in dry,2-8°C
  • Risk Phrases:R36/37/38
  • Safety Term:S26;S36

5-Oxo-5-(thiophen-2-yl)pentanoic acid 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%

5-Oxo-5-(thiophen-2-yl)pentanoic acid Pricemore >>

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5-Oxo-5-(thiophen-2-yl)pentanoic acid Production Method

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