Cas no 4439-87-6 (Benzeneacetic acid, a-(2-oxopropyl)-)

Benzeneacetic acid, a-(2-oxopropyl)- structure
4439-87-6 structure
Product Name:Benzeneacetic acid, a-(2-oxopropyl)-
CAS No:4439-87-6
MF:C11H12O3
MW:192.211183547974
CID:333515
PubChem ID:248480
Update Time:2025-08-03

Benzeneacetic acid, a-(2-oxopropyl)- Chemical and Physical Properties

Names and Identifiers

    • Benzeneacetic acid, a-(2-oxopropyl)-
    • 2-Phenyllevulinic acid
    • 4-oxo-2-phenylpentanoic acid
    • 2-phenyl-4-oxopentanoic acid
    • 4-Oxo-2-phenyl-valeriansaeure
    • 4-oxo-2-phenyl-valeric acid
    • SCHEMBL3876478
    • MFCD00021712
    • AKOS022342872
    • NCIOpen2_000073
    • 2-PHENYLLEVULINICACID
    • NSC-65632
    • AT33275
    • beta-acetyl phenyl propanoic acid
    • DTXSID70289926
    • 4439-87-6
    • NSC65632
    • Inchi： 1S/C11H12O3/c1-8(12)7-10(11(13)14)9-5-3-2-4-6-9/h2-6,10H,7H2,1H3,(H,13,14)
    • InChI Key： VUGQILCTHFEHDB-UHFFFAOYSA-N
    • SMILES： OC(C(C1C=CC=CC=1)CC(C)=O)=O

Computed Properties

  • Exact Mass: 192.07900
  • Monoisotopic Mass: 192.078644241g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 4
  • Complexity: 217
  • 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: 1.1
  • Topological Polar Surface Area: 54.4?2

Experimental Properties

  • Melting Point: 127°C
  • PSA: 54.37000
  • LogP: 1.83390

Benzeneacetic acid, a-(2-oxopropyl)- Security Information

Benzeneacetic acid, a-(2-oxopropyl)- Customs Data

  • HS CODE：2918300090
  • Customs Data：

    China Customs Code:

    2918300090

    Overview:

    2918300090 Other aldehydes or ketones without other oxy carboxylic acids(Including anhydrides\Acyl halide\Peroxides, peroxyacids and derivatives of this tax number). VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:6.5% general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2918300090 other carboxylic acids with aldehyde or ketone function but without other oxygen function, their anhydrides, halides, peroxides, peroxyacids and their derivatives.Supervision conditions:None.VAT:17.0%.Tax rebate rate:9.0%.MFN tariff:6.5%.General tariff:30.0%

Benzeneacetic acid, a-(2-oxopropyl)- Pricemore >>

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