ChemSpider 2D Image | (4Z)-3-Oxo-4-({2-sulfo-4-[(E)-(4-sulfophenyl)diazenyl]phenyl}hydrazono)-3,4-dihydro-2,7-naphthalenedisulfonic acid | C22H16N4O13S4

(4Z)-3-Oxo-4-({2-sulfo-4-[(E)-(4-sulfophenyl)diazenyl]phenyl}hydrazono)-3,4-dihydro-2,7-naphthalenedisulfonic acid

  • Molecular FormulaC22H16N4O13S4
  • Average mass672.641 Da
  • Monoisotopic mass671.959656 Da
  • ChemSpider ID4727485

  • Double-bond stereo - Double-bond stereo

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(4Z)-3-Oxo-4-({2-sulfo-4-[(E)-(4-sulfophenyl)diazenyl]phenyl}hydrazono)-3,4-dihydro-2,7-naphthalenedisulfonic acid [ACD/IUPAC Name]
(4Z)-3-Oxo-4-({2-sulfo-4-[(E)-(4-sulfophenyl)diazenyl]phenyl}hydrazono)-3,4-dihydro-2,7-naphthalindisulfonsäure [German] [ACD/IUPAC Name]
2,7-Naphthalenedisulfonic acid, 3,4-dihydro-3-oxo-4-[2-[2-sulfo-4-[(E)-2-(4-sulfophenyl)diazenyl]phenyl]hydrazinylidene]-, (4Z)- [ACD/Index Name]
Acide (4Z)-3-oxo-4-({2-sulfo-4-[(E)-(4-sulfophényl)diazényl]phényl}hydrazono)-3,4-dihydro-2,7-naphtalènedisulfonique [French] [ACD/IUPAC Name]
C.I. Acid Red 112

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

NSC16216 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.9±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.773
Molar Refractivity: 149.2±0.5 cm3
#H bond acceptors: 17
#H bond donors: 5
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 1.55
ACD/LogD (pH 5.5): -8.33
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -8.47
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 317 Å2
Polarizability: 59.2±0.5 10-24cm3
Surface Tension: 94.4±7.0 dyne/cm
Molar Volume: 358.2±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement