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Creative Commons Attribution-ShareAlike 3.0 United States Inherent Properties, Identifiers and References
ChemSpider ID: 10263751
Empirical Formula: C10H10N2O6
Molecular Weight: 254.1962
Nominal Mass: 254 Da
Average Mass: 254.1962 Da
Monoisotopic Mass: 254.053886 Da
Systematic Name:
SMILES: [O-][N+](=O)OCCN2COc1cc(O)ccc1C2=O
InChI: InChI=1/C10H10N2O6/c13-7-1-2-8-9(5-7)17-6-11(10(8)14)3-4-18-12(15​)16/h1-2,5,13H,3-4,6H2
InChIKey: MOQJBVKXXGBAPV-UHFFFAOYAT
Creative Commons Attribution-ShareAlike 3.0 United States (Details...) Original Reference(s)
(Details...) Names and Synonyms Creative Commons Attribution-ShareAlike 3.0 United States

Validated by Experts, Validated by Users, Non-Validated, Removed by Users, Redirected by Users, Redirect Approved by Experts

2-(7-hydroxy-4-oxo-2H-1,3-benzoxazin-3(4H)-yl)ethyl nitrate
4H-1,3-benzoxazin-4-one, 2,3-dihydro-7-hydroxy-3-[2-(nitrooxy)ethyl]-
(Details...) Predicted Properties
LogP: ACD/LogP: 0.44
# of Rule of 5 Violations: 0
ACD/LogD (pH 5.5): 0.44 ACD/LogD (pH 7.4): 0.27
ACD/BCF (pH 5.5): 1.26 ACD/BCF (pH 7.4): 1
ACD/KOC (pH 5.5): 40.97 ACD/KOC (pH 7.4): 27.99
#H bond acceptors: 8 #H bond donors: 1
#Freely Rotating Bonds: 5 Polar Surface Area: 104.82 Å2
Index of Refraction: 1.599 Molar Refractivity: 58.09 cm3
Molar Volume: 170 cm3 Polarizability: 23.03 10-24cm3
Surface Tension: 62.9 dyne/cm Density: 1.495 g/cm3
Flash Point: 265.3 °C Enthalpy of Vaporization: 81.66 kJ/mol
Boiling Point: 515.1 °C at 760 mmHg Vapour Pressure: 3.13E-11 mmHg at 25°C
Creative Commons Attribution-ShareAlike 3.0 United States (Details...) Feedback
DateSeverityStatusFeedback
5/7/2008 7:13:10 PMLowNewMissing names.