Cas no 478-45-5 (2-Anthracenecarboxylicacid, 9,10-dihydro-4,5,7-trihydroxy-9,10-dioxo-)

2-Anthracenecarboxylicacid, 9,10-dihydro-4,5,7-trihydroxy-9,10-dioxo- structure
478-45-5 structure
Product Name:2-Anthracenecarboxylicacid, 9,10-dihydro-4,5,7-trihydroxy-9,10-dioxo-
CAS No:478-45-5
MF:C15H8O7
MW:300.219824790955
CID:330663
PubChem ID:10169
Update Time:2025-04-19

2-Anthracenecarboxylicacid, 9,10-dihydro-4,5,7-trihydroxy-9,10-dioxo- Chemical and Physical Properties

Names and Identifiers

    • 2-Anthracenecarboxylicacid, 9,10-dihydro-4,5,7-trihydroxy-9,10-dioxo-
    • EMODICACID
    • Emodic acid
    • ANTHROIC ACID, 9,10-DIHYDRO-4,5,7-TRIHYDROXY-9,10-DIOXO-
    • 9,10-Dihydro-4,5,7-trihydroxy-9,10-dioxoanthroic acid
    • 4,5,7-trihydroxy-9,10-dioxo-9,10-dihydroanthracene-1-carboxylic acid
    • 2-Anthracenecarboxylic acid, 9,10-dihydro-4,5,7-trihydroxy-9,10-dioxo-
    • CCRIS 5311
    • CHEBI:165183
    • AKOS030242566
    • 3-10-00-04829 (Beilstein Handbook Reference)
    • DTXSID80963942
    • 4,5,7-trihydroxy-9,10-dioxoanthracene-1-carboxylic acid
    • BRN 2668609
    • 4,5,7-trihydroxy-9,10-diketo-anthracene-1-carboxylic acid
    • 478-45-5
    • CHEMBL290914
    • SPECTRUM1504060
    • CS-0136365
    • NSC624610
    • Spectrum4_001974
    • Spectrum5_000645
    • BDBM115127
    • AKOS040734875
    • SDCCGMLS-0066762.P001
    • SPBio_000402
    • 4,5,7-Trihydroxy-9,10-dioxo-9,10-dihydro-2-anthracenecarboxylic acid
    • DivK1c_006880
    • HMS2267O14
    • 4,5,7-trihydroxy-9,10-dioxoanthracene-2-carboxylic acid
    • cid_361510
    • CCG-38681
    • Spectrum3_001129
    • 4,5,7-tris(oxidanyl)-9,10-bis(oxidanylidene)anthracene-2-carboxylic acid
    • SMR000440655
    • Spectrum_000189
    • ZJXVNNSMRGTDBI-UHFFFAOYSA-N
    • NCGC00095847-01
    • BRD-K94841585-001-03-6
    • 4,5,7- trihydroxy-2-carboxyanthraquinone
    • KBio2_003237
    • NCGC00095847-02
    • KBioSS_000669
    • MLS000876948
    • NSC-624610
    • KBio2_005805
    • NCGC00095847-03
    • 4,5,7-trihydroxy-9,10-dioxo-anthracene-2-carboxylic acid
    • KBio2_000669
    • 4,5,7-trihydroxyanthraquinone-2-carboxylic acid
    • Spectrum2_000421
    • BSPBio_002597
    • SCHEMBL5073407
    • SpecPlus_000784
    • KBioGR_002473
    • KBio3_002097
    • HY-134000
    • 4,5,7-Trihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-carboxylic acid
    • 4,5,7-trihydroxy-9,10-dioxo-2-anthracenecarboxylic acid
    • Q27165344
    • ACon0_001437
    • KBio1_001824
    • CHEBI:93655
    • ACon1_000410
    • MEGxm0_000113
    • 4,5,7-trihydroxy-9,10-diketo-anthracene-2-carboxylic acid
    • 9,10-Dihydro-4,5,7-trihydroxy-9,10-dioxo-2-anthroic acid
    • MLSMR
    • NSC 624610
    • Inchi： 1S/C15H8O7/c16-5-3-7-10(9(18)4-5)14(20)12-8(17)2-1-6(15(21)22)11(12)13(7)19/h1-4,16-18H,(H,21,22)
    • InChI Key： CUUCCKPDUGAXQQ-UHFFFAOYSA-N
    • SMILES： O=C1C2C=C(C=C(C=2C(C2C(=CC=C(C(=O)O)C=21)O)=O)O)O

Computed Properties

  • Exact Mass: 300.02694
  • Monoisotopic Mass: 300.027
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 22
  • Rotatable Bond Count: 1
  • Complexity: 516
  • 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: 1.9
  • Topological Polar Surface Area: 132?2

Experimental Properties

  • Density: 1.798
  • Melting Point: 345-350 °C (decomp)(Solv: acetic acid (64-19-7))
  • Boiling Point: 689.3°Cat760mmHg
  • Flash Point: 384.7°C
  • Refractive Index: 1.798
  • PSA: 132.13

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