Cas no 90921-13-4 (Erythrocentauric acid)

Erythrocentauric acid structure
Erythrocentauric acid structure
Product Name:Erythrocentauric acid
CAS No:90921-13-4
MF:C10H8O4
MW:192.168123245239
CID:1080796
PubChem ID:118726453
Update Time:2025-04-20

Erythrocentauric acid Chemical and Physical Properties

Names and Identifiers

    • Erythrocentauric acid
    • 1-Oxo-5-isochromancarboxylic acid
    • [ "" ]
    • CHEMBL3397163
    • 1-Oxo-3,4-dihydroisochromene-5-carboxylic acid
    • 5-Isochromancarboxylic acid, 1-oxo-
    • AKOS032962716
    • 3,4-Dihydro-1-oxo-1H-2-benzopyran-5-carboxylic acid; Erythrocentauric acid
    • Erythrocentauricacid
    • 90921-13-4
    • Inchi： 1S/C10H8O4/c11-9(12)7-2-1-3-8-6(7)4-5-14-10(8)13/h1-3H,4-5H2,(H,11,12)
    • InChI Key： VOPDFFBAKXNSRA-UHFFFAOYSA-N
    • SMILES： O1C(C2C=CC=C(C(=O)O)C=2CC1)=O

Computed Properties

  • Exact Mass: 192.04200
  • Monoisotopic Mass: 192.04225873g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 1
  • Complexity: 261
  • 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: 1.3
  • Topological Polar Surface Area: 63.6?2

Experimental Properties

  • Color/Form: Powder
  • Density: 1.409±0.06 g/cm3 (20 oC 760 Torr),
  • Boiling Point: 472.6±45.0 °C at 760 mmHg
  • Flash Point: 198.1±22.2 °C
  • Solubility: Slightly soluble (1.3 g/l) (25 o C),
  • PSA: 63.60000
  • LogP: 1.09770
  • Vapor Pressure: 0.0±1.2 mmHg at 25°C

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