Cas no 17559-85-2 (2-[(2S)-7-oxo-2,3-dihydro-7H-furo[3,2-g]chromen-2-yl]propan-2-yl benzoate)

2-[(2S)-7-oxo-2,3-dihydro-7H-furo[3,2-g]chromen-2-yl]propan-2-yl benzoate structure
17559-85-2 structure
Product Name:2-[(2S)-7-oxo-2,3-dihydro-7H-furo[3,2-g]chromen-2-yl]propan-2-yl benzoate
CAS No:17559-85-2
MF:C21H18O5
MW:350.364626407623
CID:1361853
PubChem ID:1042895
Update Time:2025-04-20

2-[(2S)-7-oxo-2,3-dihydro-7H-furo[3,2-g]chromen-2-yl]propan-2-yl benzoate Chemical and Physical Properties

Names and Identifiers

    • 2-[(2S)-7-oxo-2,3-dihydro-7H-furo[3,2-g]chromen-2-yl]propan-2-yl benzoate
    • Spectrum3_001644
    • AKOS037517296
    • AB00053141-02
    • KBio2_004568
    • 2-[(2S)-7-oxo-2,3-dihydrofuro[3,2-g]chromen-2-yl]propan-2-yl benzoate
    • 17559-85-2
    • SpecPlus_000944
    • Q27164352
    • 1-METHYL-1-(7-OXO-2,3-DIHYDRO-7H-FURO(3,2-G)CHROMEN-2-YL)ETHYL BENZOATE
    • FELAMIDIN
    • benzoic acid 2-[(2S)-7-oxo-2,3-dihydrofuro[3,2-g][1]benzopyran-2-yl]propan-2-yl ester
    • KBio3_002587
    • CHEBI:92642
    • SDCCGMLS-0066833.P001
    • KBio2_002000
    • BRD-K36638198-001-02-8
    • DivK1c_007040
    • SPBio_000682
    • KBio2_007136
    • Spectrum2_000731
    • Felamedin
    • Spectrum4_001691
    • SCHEMBL12062114
    • CCG-40139
    • BSPBio_003367
    • (R)-2-(7-oxo-3,7-dihydro-2H-furo[3,2-g]chromen-2-yl)propan-2-yl benzoate
    • Spectrum5_000362
    • Spectrum_001520
    • KBio1_001984
    • CHEMBL3039023
    • DTXSID801346605
    • KBioGR_001982
    • KBioSS_002000
    • Oprea1_050473
    • AKOS000546750
    • AKOS022011817
    • Oprea1_209470
    • 1-methyl-1-(7-oxo-2,3-dihydro-7H-furo[3,2-g]chromen-2-yl)ethyl benzoate
    • 2-(7-oxo-3,7-dihydro-2h-furo[3,2-g]chromen-2-yl)propan-2-yl benzoate
    • 2-(7-oxo-2,3-dihydro-7H-furo[3,2-g]chromen-2-yl)propan-2-yl benzoate
    • Inchi： 1S/C21H18O5/c1-21(2,26-20(23)13-6-4-3-5-7-13)18-11-15-10-14-8-9-19(22)25-16(14)12-17(15)24-18/h3-10,12,18H,11H2,1-2H3/t18-/m0/s1
    • InChI Key： VIPXLQMQEIDXMH-SFHVURJKSA-N
    • SMILES： O1C2C=C3C(C=CC(=O)O3)=CC=2C[C@H]1C(C)(C)OC(C1C=CC=CC=1)=O

Computed Properties

  • Exact Mass: 350.11544
  • Monoisotopic Mass: 350.11542367g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 26
  • Rotatable Bond Count: 4
  • Complexity: 589
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 1
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 4.1
  • Topological Polar Surface Area: 61.8?2

Experimental Properties

  • PSA: 61.83

2-[(2S)-7-oxo-2,3-dihydro-7H-furo[3,2-g]chromen-2-yl]propan-2-yl benzoate Related Literature

Related Categories

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