ChemSpider 2D Image | (2Z)-2-Ammonio-3-[(1Z)-3-oxo-1-propen-1-yl]-2-butenedioate | C7H6NO5

(2Z)-2-Ammonio-3-[(1Z)-3-oxo-1-propen-1-yl]-2-butenedioate

  • Molecular FormulaC7H6NO5
  • Average mass184.127 Da
  • Monoisotopic mass184.025146 Da
  • ChemSpider ID31150337

  • Charge - Charge

    Double-bond stereo - Double-bond stereo

More details:

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

(2Z)-2-Ammonio-3-[(1Z)-3-oxo-1-propen-1-yl]-2-butendioat [German] [ACD/IUPAC Name]
(2Z)-2-Ammonio-3-[(1Z)-3-oxo-1-propen-1-yl]-2-butenedioate [ACD/IUPAC Name]
(2Z)-2-Ammonio-3-[(1Z)-3-oxo-1-propén-1-yl]-2-butènedioate [French] [ACD/IUPAC Name]
2-Butenedioic acid, 2-amino-3-[(1Z)-3-oxo-1-propen-1-yl]-, inner salt, ion(1-), (2Z)- [ACD/Index Name]
(2Z)-2-ammonio-3-[(1Z)-3-oxoprop-1-en-1-yl]but-2-enedioate
(2Z)-2-azaniumyl-3-[(1Z)-3-oxoprop-1-en-1-yl]but-2-enedioate
(2Z,4Z)-2-amino-3-carboxymuconate 6-semialdehyde
cis,cis-2-amino-3-(3-oxoprop-1-enyl)but-2-enedioate
cis,cis-2-ammonio-3-(3-oxoprop-1-enyl)but-2-enedioate(1-)
  • Miscellaneous

    • Chemical Class:

      A dicarboxylic acid anion that is the major structure at pH 7.3 of cis,cis-2-amino-3-(3-oxoprop-1-enyl)but-2-enedioic acid ChEBI CHEBI:77612

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

Density:
Boiling Point: 388.8±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 70.0±6.0 kJ/mol
Flash Point: 188.9±27.9 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -1.47
ACD/LogD (pH 5.5): -3.87
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.02
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 125 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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