Cas no 71699-34-8 (3-Coumaranone)

3-Coumaranone structure
3-Coumaranone structure
Product Name:3-Coumaranone
CAS No:71699-34-8
MF:C8H6O2
MW:134.13204240799
CID:59254
PubChem ID:23556
Update Time:2025-04-18

3-Coumaranone Chemical and Physical Properties

Names and Identifiers

    • 3-Coumaranone
    • 2H-BEZOFURAN-3-ONE
    • (4RS)-4-hydroxy-4-(4-nitrophenyl)butan-2-one
    • (4RS,5RS)-5-hydroxy-4,6-dimethyl-heptan-3-one
    • 1-(4-NITROPHENYL)-3-OXO-1-BUTANOL
    • 2-Butanone, 4-hydroxy-4-(4-nitrophenyl)-, (+)-
    • 4-(4'-nitrophenyl)-4-hydroxy-2-butanone
    • 4-(4'-nitrophenyl)-4-hydroxybutan-2-one
    • 4-hydroxy-4-(4'-nitrophenyl)-butan-2-one
    • 4-hydroxy-4-(4-nitrophenyl)-butan-2-one
    • 5-hydroxy-4,6-dimethylheptan-3-one
    • AG-G-03185
    • rac-isozeaxanthin
    • SureCN3486388
    • 3-Heptanone,5-hydroxy-4,6-dimethyl-, (R*,R*)-
    • BENZO[B]FURAN-3(2H)-ONE
    • BCP07835
    • EN300-49168
    • Coumaran-3-one
    • PB43343
    • NSC 512726
    • 2,3-dihydro-1-benzofuran-3-one
    • AC-20612
    • FT-0615540
    • CHEMBL2253270
    • CCG-356035
    • Benzofuran-3-one
    • KZ7LS8K9LP
    • CCRIS 3596
    • 3(2H)-BENZOFURANONE
    • NSC-512726
    • NSC512726
    • HY-W001165
    • 1-benzofuran-3 (2H)-one
    • benzofuran-3-(2H)-one
    • 3-(2H)-benzo[b]-furanone
    • STR06709
    • Z57101103
    • 71699-34-8
    • C2825
    • SY011530
    • Coumaranone
    • A837290
    • 3-(2H)-benzo[b]furanone
    • AC-30814
    • 2H-BENZOFURAN-3-ONE
    • NCIOpen2_003700
    • Benzofuran-3(2H)-one, >=98.0% (HPLC)
    • 1-benzofuran-3-(2H)-one
    • 7169-34-8
    • UNII-KZ7LS8K9LP
    • MFCD00051810
    • 2H-3-Benzofuranone
    • 3-BENZOFURANONE
    • 1-Benzofuran-3(2H)-one
    • DTXSID20221917
    • AKOS000223931
    • 2,3-Dihydrobenzo[b]furan-3-one
    • FT-0694917
    • 3-Coumaranonebenzofuran-3(2H)-one
    • PS-4359
    • 1-benzofuran-3-one
    • Benzofuran-3(2H)-one
    • AM20041072
    • SCHEMBL69412
    • AB02144
    • CS-W001165
    • benzofuran-3 (2h)-one
    • 1-Benzofuran-3(2H)-one #
    • 2,3-DIHYDROBENZOFURAN-3-ONE
    • Inchi： 1S/C8H6O2/c9-7-5-10-8-4-2-1-3-6(7)8/h1-4H,5H2
    • InChI Key： MGKPCLNUSDGXGT-UHFFFAOYSA-N
    • SMILES： O1CC(C2C=CC=CC1=2)=O

Computed Properties

  • Exact Mass: 134.036779430g/mol
  • Monoisotopic Mass: 134.036779430g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 0
  • Complexity: 153
  • 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: 1.5
  • Topological Polar Surface Area: 26.3?2

Experimental Properties

  • PSA: 26.30000
  • LogP: 1.26170

3-Coumaranone Related Literature

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