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[Acetyloxy-(3-nitrophenyl)methyl] acetate CAS NO.29949-19-7
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Keywords
- acetyloxy(3-nitrophenyl)methyl acetate
- (3-nitrophenyl)methanediyl diacetate;
- 3-Nitrobenzylidene di(acetate)
Quick Details
- ProName: [Acetyloxy-(3-nitrophenyl)methyl] acet...
- CasNo: 29949-19-7
- Application: The [Acetyloxy-(3-nitrophenyl)methyl] ...
- ProductionCapacity: Metric Ton/Day
- Purity: 99
- Transportation: The [Acetyloxy-(3-nitrophenyl)methyl] ...
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Superiority
The [Acetyloxy-(3-nitrophenyl)methyl] acetate, with the CAS registry number 29949-19-7 and EINECS registry number 249-969-3, has the systematic name of (3-nitrophenyl)methanediyl diacetate. And the molecular formula of the chemical is C11H11NO6.
The characteristics of [Acetyloxy-(3-nitrophenyl)methyl] acetate are as followings: (1)ACD/LogP: 1.35; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.35; (4)ACD/LogD (pH 7.4): 1.35; (5)ACD/BCF (pH 5.5): 6.25; (6)ACD/BCF (pH 7.4): 6.25; (7)ACD/KOC (pH 5.5): 129.25; (8)ACD/KOC (pH 7.4): 129.25; (9)#H bond acceptors: 7; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 98.42 Å2; (13)Index of Refraction: 1.537; (14)Molar Refractivity: 59.79 cm3; (15)Molar Volume: 191.3 cm3; (16)Polarizability: 23.7×10-24cm3; (17)Surface Tension: 49.2 dyne/cm; (18)Density: 1.323 g/cm3; (19)Flash Point: 155 °C; (20)Enthalpy of Vaporization: 60.34 kJ/mol; (21)Boiling Point: 358 °C at 760 mmHg; (22)Vapour Pressure: 2.62E-05 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: [O-][N+](=O)c1cccc(c1)C(OC(=O)C)OC(=O)C
(2)InChI: InChI=1/C11H11NO6/c1-7(13)17-11(18-8(2)14)9-4-3-5-10(6-9)12(15)16/h3-6,11H,1-2H3
(3)InChIKey: QJNXSPWUBMFCND-UHFFFAOYA
Details
The [Acetyloxy-(3-nitrophenyl)methyl] acetate, with the CAS registry number 29949-19-7 and EINECS registry number 249-969-3, has the systematic name of (3-nitrophenyl)methanediyl diacetate. And the molecular formula of the chemical is C11H11NO6.
The characteristics of [Acetyloxy-(3-nitrophenyl)methyl] acetate are as followings: (1)ACD/LogP: 1.35; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.35; (4)ACD/LogD (pH 7.4): 1.35; (5)ACD/BCF (pH 5.5): 6.25; (6)ACD/BCF (pH 7.4): 6.25; (7)ACD/KOC (pH 5.5): 129.25; (8)ACD/KOC (pH 7.4): 129.25; (9)#H bond acceptors: 7; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 98.42 Å2; (13)Index of Refraction: 1.537; (14)Molar Refractivity: 59.79 cm3; (15)Molar Volume: 191.3 cm3; (16)Polarizability: 23.7×10-24cm3; (17)Surface Tension: 49.2 dyne/cm; (18)Density: 1.323 g/cm3; (19)Flash Point: 155 °C; (20)Enthalpy of Vaporization: 60.34 kJ/mol; (21)Boiling Point: 358 °C at 760 mmHg; (22)Vapour Pressure: 2.62E-05 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: [O-][N+](=O)c1cccc(c1)C(OC(=O)C)OC(=O)C
(2)InChI: InChI=1/C11H11NO6/c1-7(13)17-11(18-8(2)14)9-4-3-5-10(6-9)12(15)16/h3-6,11H,1-2H3
(3)InChIKey: QJNXSPWUBMFCND-UHFFFAOYA