Cas no 26071-14-7 (2-Anthracenecarboxylicacid, 9,10-dihydro-1,4,6-trihydroxy-8-methoxy-3-methyl-9,10-dioxo-)

2-Anthracenecarboxylicacid, 9,10-dihydro-1,4,6-trihydroxy-8-methoxy-3-methyl-9,10-dioxo- structure
26071-14-7 structure
Product Name:2-Anthracenecarboxylicacid, 9,10-dihydro-1,4,6-trihydroxy-8-methoxy-3-methyl-9,10-dioxo-
CAS No:26071-14-7
MF:C17H12O8
MW:344.272385597229
CID:262701
PubChem ID:71358705
Update Time:2025-04-19

2-Anthracenecarboxylicacid, 9,10-dihydro-1,4,6-trihydroxy-8-methoxy-3-methyl-9,10-dioxo- Chemical and Physical Properties

Names and Identifiers

    • 2-Anthracenecarboxylicacid, 9,10-dihydro-1,4,6-trihydroxy-8-methoxy-3-methyl-9,10-dioxo-
    • 1,4,6-trihydroxy-8-methoxy-3-methyl-9,10-dioxoanthracene-2-carboxylic acid
    • 2-Anthroicacid, 9,10-dihydro-1,4,6-trihydroxy-8-methoxy-3-methyl-9,10-dioxo- (8CI)
    • Dermorubin
    • 3-methyl-1,4,6-trihydroxy-8-methoxy-anthraquinone-2-carboxylic acid
    • 1,4,6-TRIHYDROXY-8-METHOXY-3-METHYL-9,10-DIOXO-9,10-DIHYDROANTHRACENE-2-CARBOXYLIC ACID
    • SCHEMBL23522382
    • 26071-14-7
    • DTXSID80782670
    • Inchi: 1S/C17H12O8/c1-5-9(17(23)24)15(21)12-11(13(5)19)14(20)7-3-6(18)4-8(25-2)10(7)16(12)22/h3-4,18-19,21H,1-2H3,(H,23,24)
    • InChI Key: QBBMNZABHFBDGG-UHFFFAOYSA-N
    • SMILES: OC1=C(C)C(C(=O)O)=C(C2C(C3C(=CC(=CC=3C(C=21)=O)O)OC)=O)O

Computed Properties

  • Exact Mass: 344.05316
  • Monoisotopic Mass: 344.05321734g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 8
  • Heavy Atom Count: 25
  • Rotatable Bond Count: 2
  • Complexity: 589
  • 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: 2.8
  • Topological Polar Surface Area: 141?2

Experimental Properties

  • PSA: 141.36

2-Anthracenecarboxylicacid, 9,10-dihydro-1,4,6-trihydroxy-8-methoxy-3-methyl-9,10-dioxo- Related Literature

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