Cas no 5452-39-1 (3-Acetyl-8-methoxy-2H-chromen-2-one)

3-Acetyl-8-methoxy-2H-chromen-2-one structure
5452-39-1 structure
Product Name:3-Acetyl-8-methoxy-2H-chromen-2-one
CAS No:5452-39-1
MF:C12H10O4
MW:218.205403804779
MDL:MFCD00807051
CID:941711
PubChem ID:227363
Update Time:2025-04-19

3-Acetyl-8-methoxy-2H-chromen-2-one Chemical and Physical Properties

Names and Identifiers

    • 3-Acetyl-8-methoxy-2H-chromen-2-one
    • 3-acetyl-8-methoxy-2H-chromen-2-one(SALTDATA: FREE)
    • 3-ACETYL-8-METHOXY-CHROMEN-2-ONE
    • 3-acetyl-8-methoxychromen-2-one
    • 2h-1-benzopyran-2-one,3-acetyl-8-methoxy
    • 3-acetyl-8-methoxy-2H-1-benzopyran-2-one
    • 3-acetyl-8-methoxycoumarin
    • 3-Acetyl-8-methoxy-cumarin
    • 8-Methoxy-3-acetylcoumarin
    • MFCD00807051
    • CS-0313172
    • BBL005498
    • NSC18921
    • F0405-0913
    • AKOS002228519
    • EU-0001276
    • 3-ethanoyl-8-methoxy-chromen-2-one
    • cid_227363
    • SCHEMBL7519005
    • STK387487
    • BDBM68556
    • CHEMBL1489503
    • 3-acetyl-8-methoxy-1-benzopyran-2-one
    • VS-01582
    • 3-acetyl-8-methoxy-coumarin
    • NCI60_001577
    • MLS000061446
    • NSC-18921
    • CBMicro_024922
    • 2h-1-benzopyran-2-one, 3-acetyl-8-methoxy-
    • 5452-39-1
    • SMR000069856
    • YZYLMMBZCXTXLW-UHFFFAOYSA-N
    • DTXSID40280849
    • 3-Acetyl-8-methoxycoumarin, AldrichCPR
    • CCG-11500
    • HMS2445J06
    • BIM-0024724.P001
    • DB-350920
    • MDL: MFCD00807051
    • Inchi: 1S/C12H10O4/c1-7(13)9-6-8-4-3-5-10(15-2)11(8)16-12(9)14/h3-6H,1-2H3
    • InChI Key: YZYLMMBZCXTXLW-UHFFFAOYSA-N
    • SMILES: O1C(C(C(C)=O)=CC2C=CC=C(C1=2)OC)=O

Computed Properties

  • Exact Mass: 218.05800
  • Monoisotopic Mass: 218.05790880g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 2
  • Complexity: 345
  • 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
  • XLogP3: 1.8
  • Topological Polar Surface Area: 52.6?2

Experimental Properties

  • PSA: 56.51000
  • LogP: 2.00420

3-Acetyl-8-methoxy-2H-chromen-2-one Security Information

  • Hazard Category Code: 22
  • Hazardous Material Identification: Xn

3-Acetyl-8-methoxy-2H-chromen-2-one Customs Data

  • HS CODE:2932209090
  • Customs Data:

    China Customs Code:

    2932209090

    Overview:

    2932209090. Other lactones. 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:

    2932209090. other lactones. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

3-Acetyl-8-methoxy-2H-chromen-2-one Pricemore >>

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