Cas no 58621-52-6 (1-(3,4-dihydro-2H-1-benzopyran-6-yl)ethan-1-one)

1-(3,4-dihydro-2H-1-benzopyran-6-yl)ethan-1-one structure
58621-52-6 structure
Product Name:1-(3,4-dihydro-2H-1-benzopyran-6-yl)ethan-1-one
CAS No:58621-52-6
MF:C11H12O2
MW:176.211783409119
CID:341456
PubChem ID:12357018
Update Time:2023-11-22

1-(3,4-dihydro-2H-1-benzopyran-6-yl)ethan-1-one Chemical and Physical Properties

Names and Identifiers

    • Ethanone, 1-(3,4-dihydro-2H-1-benzopyran-6-yl)-
    • 1-(3,4-dihydro-2H-chromen-6-yl)ethanone
    • 1-chroman-6-yl-ethanone
    • 1-(3,4-dihydro-2H-1-benzopyran-6-yl)ethan-1-one
    • SCHEMBL1726294
    • 1-(chroman-6-yl)ethanone
    • BAXUMNKQKVFPNU-UHFFFAOYSA-N
    • 6-acetylchroman
    • N12807
    • DTXSID80493799
    • 58621-52-6
    • EN300-102687
    • CS-0230196
    • AKOS010256162
    • Inchi: 1S/C11H12O2/c1-8(12)9-4-5-11-10(7-9)3-2-6-13-11/h4-5,7H,2-3,6H2,1H3
    • InChI Key: BAXUMNKQKVFPNU-UHFFFAOYSA-N
    • SMILES: O1C2C=CC(C(C)=O)=CC=2CCC1

Computed Properties

  • Exact Mass: 176.08376
  • Monoisotopic Mass: 176.083729621g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 1
  • Complexity: 200
  • 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: 2
  • Topological Polar Surface Area: 26.3?2

Experimental Properties

  • PSA: 26.3

1-(3,4-dihydro-2H-1-benzopyran-6-yl)ethan-1-one Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
TRC
D456918-10mg
1-(3,4-dihydro-2H-1-benzopyran-6-yl)ethan-1-one
58621-52-6
10mg
$ 50.00 2022-06-05
TRC
D456918-50mg
1-(3,4-dihydro-2H-1-benzopyran-6-yl)ethan-1-one
58621-52-6
50mg
$ 160.00 2022-06-05
TRC
D456918-100mg
1-(3,4-dihydro-2H-1-benzopyran-6-yl)ethan-1-one
58621-52-6
100mg
$ 230.00 2022-06-05
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