Cas no 314041-54-8 (4H-1-Benzopyran-4-one,6-methyl-, hydrate (1:1))

4H-1-Benzopyran-4-one,6-methyl-, hydrate (1:1) structure
314041-54-8 structure
Product Name:4H-1-Benzopyran-4-one,6-methyl-, hydrate (1:1)
CAS No:314041-54-8
MF:C10H10O3
MW:178.184603214264
CID:307724
PubChem ID:16212708
Update Time:2025-04-19

4H-1-Benzopyran-4-one,6-methyl-, hydrate (1:1) Chemical and Physical Properties

Names and Identifiers

    • 4H-1-Benzopyran-4-one,6-methyl-, hydrate (1:1)
    • 6-METHYLCHROMONE HYDRATE
    • 6-Methyl-4H-chromen-4-one
    • A879453
    • 207511-19-1
    • DTXSID30583679
    • AKOS027320235
    • 6-Methyl-4H-1-benzopyran-4-one--water (1/1)
    • 4H-1-Benzopyran-4-one, 6-methyl-, hydrate (1:1)
    • CS-0333114
    • 6-methylchromen-4-one;hydrate
    • MFCD00209598
    • 6-Methyl-4H-chromen-4-one hydrate
    • 6-Methyl-4H-chromen-4-onehydrate
    • 314041-54-8
    • 6-Methylchromone hydrate,98%
    • 6-Methylchromone hydrate, 98%
    • Inchi: 1S/C10H8O2.H2O/c1-7-2-3-10-8(6-7)9(11)4-5-12-10;/h2-6H,1H3;1H2
    • InChI Key: QWIQUUMSUBFRAX-UHFFFAOYSA-N
    • SMILES: O1C=CC(C2C=C(C)C=CC1=2)=O.O

Computed Properties

  • Exact Mass: 160.05200
  • Monoisotopic Mass: 160.05243
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 0
  • Complexity: 220
  • 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: nothing
  • XLogP3: nothing
  • Topological Polar Surface Area: 26.3

Experimental Properties

  • Color/Form: Not available
  • Density: 1.2
  • Melting Point: 76-78?°C(lit.)
  • Boiling Point: 274.3°Cat760mmHg
  • Flash Point: 126.7°C
  • Refractive Index: 1.583
  • PSA: 30.21000
  • LogP: 2.10140
  • Solubility: Not available

4H-1-Benzopyran-4-one,6-methyl-, hydrate (1:1) Security Information

  • WGK Germany:3
  • Safety Instruction: S24/25

4H-1-Benzopyran-4-one,6-methyl-, hydrate (1:1) Customs Data

  • HS CODE:2932999099
  • Customs Data:

    China Customs Code:

    2932999099

    Overview:

    2932999099. Other heterocyclic compounds containing only oxygen heteroatoms. 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:

    2932999099. other heterocyclic compounds with oxygen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

4H-1-Benzopyran-4-one,6-methyl-, hydrate (1:1) Pricemore >>

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