Cas no 5418-36-0 (2,5-Cyclohexadien-1-one,4-[(4-hydroxy-2-methylphenyl)imino]-, sodium salt (1:1))

2,5-Cyclohexadien-1-one,4-[(4-hydroxy-2-methylphenyl)imino]-, sodium salt (1:1) structure
5418-36-0 structure
Product Name:2,5-Cyclohexadien-1-one,4-[(4-hydroxy-2-methylphenyl)imino]-, sodium salt (1:1)
CAS No:5418-36-0
MF:C13H11NNaO2
MW:236.221714258194
CID:378336
PubChem ID:24181574
Update Time:2025-04-19

2,5-Cyclohexadien-1-one,4-[(4-hydroxy-2-methylphenyl)imino]-, sodium salt (1:1) Chemical and Physical Properties

Names and Identifiers

    • 2,5-Cyclohexadien-1-one,4-[(4-hydroxy-2-methylphenyl)imino]-, sodium salt (1:1)
    • M-CRESOLINDOPHENOL SODIUM SALT
    • sodium,4-(4-hydroxyphenyl)imino-3-methylcyclohexa-2,5-dien-1-one
    • NSC10444
    • NSC-10444
    • DTXSID00636303
    • sodium;4-(4-hydroxyphenyl)imino-3-methylcyclohexa-2,5-dien-1-one
    • 5418-36-0
    • Inchi: 1S/C13H11NO2.Na/c1-9-8-12(16)6-7-13(9)14-10-2-4-11(15)5-3-10;/h2-8,15H,1H3;/q;+1/b14-13+;
    • InChI Key: KZMNIJMAXYPWOZ-IERUDJENSA-N
    • SMILES: [Na+].OC1C=CC(=CC=1)/N=C1\C=CC(C=C\1C)=O

Computed Properties

  • Exact Mass: 213.07903
  • Monoisotopic Mass: 235.061
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 1
  • Complexity: 371
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 1
  • Tautomer Count: 6
  • XLogP3: nothing
  • Topological Polar Surface Area: 52.5A^2

Experimental Properties

  • Density: 1.16
  • Boiling Point: 366.6°Cat760mmHg
  • Flash Point: 175.5°C
  • Refractive Index: 1.59
  • PSA: 49.66
  • LogP: 2.46820
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