ChemSpider 2D Image | 4,13-Dioxo-5,12-dioxa-3,14-diazahexadeca-7,9-diyne-1,16-dioic acid | C12H12N2O8

4,13-Dioxo-5,12-dioxa-3,14-diazahexadeca-7,9-diyne-1,16-dioic acid

  • Molecular FormulaC12H12N2O8
  • Average mass312.232 Da
  • Monoisotopic mass312.059357 Da
  • ChemSpider ID28709555

More details:

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

4,13-Dioxo-5,12-dioxa-3,14-diazahexadeca-7,9-diin-1,16-disäure [German] [ACD/IUPAC Name]
4,13-Dioxo-5,12-dioxa-3,14-diazahexadeca-7,9-diyne-1,16-dioic acid [ACD/IUPAC Name]
Acide 4,13-dioxo-5,12-dioxa-3,14-diazahexadéca-7,9-diyne-1,16-dioïque [French] [ACD/IUPAC Name]
{[({6-[(CARBOXYMETHYLCARBAMOYL)OXY]HEXA-2,4-DIYN-1-YL}OXY)CARBONYL]AMINO}ACETIC ACID
92449-81-5 [RN]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 665.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.4 mmHg at 25°C
Enthalpy of Vaporization: 106.7±6.0 kJ/mol
Flash Point: 356.3±31.5 °C
Index of Refraction: 1.566
Molar Refractivity: 67.5±0.3 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 1.14
ACD/LogD (pH 5.5): -3.02
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.16
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 151 Å2
Polarizability: 26.8±0.5 10-24cm3
Surface Tension: 77.7±3.0 dyne/cm
Molar Volume: 207.1±3.0 cm3

Click to predict properties on the Chemicalize site


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