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Home> Hot Product Listed 2   > 2,2-Dimethylhydrazobenzene
96850-30-5 structure

2,2-Dimethylhydrazobenzene

CAS No.:96850-30-5
Molecular Weight:388.46
Molecular Formula:C8H11N3O6 (isomer)
Names and Identifiers
Synonyms

o-Hydrazotoluene

Inchi
InChI=1S/C22H28O6/c1-10-12-5-6-13-21(8-12,19(10)28-11(2)23)18(26)16(25)17-20(3,4)15-7-14(24)22(13,17)9-27-15/h12-13,15-17,19,25H,1,5-9H2,2-4H3/t12-,13-,15-,16+,17-,19-,21-,22-/m1/s1
InChkey
DCULYKVTBAXAER-XETVFITMSA-N
Canonical Smiles
CC(=O)OC1C(=C)C2CCC3C1(C2)C(=O)C(C4C35COC(C4(C)C)CC5=O)O
Properties
Density
1.197
Flash Point
179.3°C
Computational chemical data
  • Molecular Weight:388.46g/mol
  • Molecular Formula:C8H11N3O6
  • Compound Is Canonicalized:True
  • Exact Mass:388.189
  • Monoisotopic Mass:388.189
  • Complexity:814
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:6
  • Topological Polar Surface Area:89.9A^2
  • Heavy Atom Count:28
  • Defined Atom Stereocenter Count:8
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADceB4OAAAAAAAAAAAAAAAAAAAAYAAAAA0aMECBgAAAADQAAAAGgAACAAADxSggAICCAAABgCI AoDSCAIAAAAgAAAAAAFAAAgAFBYAIQACQAAEoAAAIAHK7vzvgAAAAAAAAADAAAYAADAAAYAABAAA AA==
 
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