Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
Benzenebutanoic acid,4-nitro-a,g-dioxo-, methyl ester |
EINECS | N/A |
CAS No. | 39757-36-3 | Density | 1.373 g/cm3 |
PSA | 106.26000 | LogP | 1.43290 |
Solubility | N/A | Melting Point |
N/A |
Formula | C11H9NO6 | Boiling Point | 414.1 °C at 760 mmHg |
Molecular Weight | 251.196 | Flash Point | 193.5 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
(4-Nitrobenzoyl)pyruvicacid methyl ester;Methyl (4-nitrobenzoyl)pyruvate;Methyl(p-nitrobenzoyl)pyruvate;NSC 208709; |
Article Data | 7 |
The CAS register number of Benzenebutanoic acid,4-nitro-a,g-dioxo-, methyl ester is 39757-36-3. It also can be called as (4-Nitrobenzoyl)pyruvicacid methyl ester and the systematic name about this chemical is methyl 4-(4-nitrophenyl)-2,4-dioxobutanoate. The molecular formula about this chemical is C11H9NO6 and the molecular weight is 251.19.
Physical properties about Benzenebutanoic acid,4-nitro-a,g-dioxo-, methyl ester are: (1)ACD/LogP: 0.75; (2)#H bond acceptors: 7; (3)#Freely Rotating Bonds: 6; (4)Polar Surface Area: 106.26Å2; (5)Index of Refraction: 1.552; (6)Molar Refractivity: 58.52 cm3; (7)Molar Volume: 182.9 cm3; (8)Polarizability: 23.2x10-24cm3; (9)Surface Tension: 54.5 dyne/cm; (10)Flash Point: 193.5 °C; (11)Enthalpy of Vaporization: 66.7 kJ/mol; (12)Boiling Point: 414.1 °C at 760 mmHg; (13)Vapour Pressure: 4.55E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=[N+]([O-])c1ccc(C(=O)CC(=O)C(=O)OC)cc1
(2)InChI: InChI=1/C11H9NO6/c1-18-11(15)10(14)6-9(13)7-2-4-8(5-3-7)12(16)17/h2-5H,6H2,1H3
(3)InChIKey: WKRICHRWYJZLCY-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C11H9NO6/c1-18-11(15)10(14)6-9(13)7-2-4-8(5-3-7)12(16)17/h2-5H,6H2,1H3
(5)Std. InChIKey: WKRICHRWYJZLCY-UHFFFAOYSA-N