Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
Benzenebutanoic acid,4-methoxy-a,g-dioxo-, methyl ester |
EINECS | N/A |
CAS No. | 39757-31-8 | Density | 1.21 g/cm3 |
PSA | 72.83000 | LogP | 1.49280 |
Solubility | N/A | Melting Point |
96-98 |
Formula | C12H12O5 | Boiling Point | 396.4 °C at 760 mmHg |
Molecular Weight | 236.224 | Flash Point | 178 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
(4-Methoxybenzoyl)pyruvicacid methyl ester;Methyl (4-methoxybenzoyl)pyruvate;Methyl (p-methoxybenzoyl)pyruvate;Methyl p-anisoylpyruvate;NSC 208707; |
Article Data | 12 |
The Benzenebutanoic acid,4-methoxy-a,g-dioxo-, methyl ester, with the CAS registry number 39757-31-8, is also known as 4-(4-Methoxy-phenyl)-2,4-dioxo-butyric acid methyl ester. This chemical's molecular formula is C12H12O5 and molecular weight is 236.22. What's more, its systematic name is methyl 4-(4-methoxyphenyl)-2,4-dioxobutanoate.
Physical properties of Benzenebutanoic acid,4-methoxy-a,g-dioxo-, methyl ester are: (1)ACD/LogP: 1.07; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 5; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 6; (6)Polar Surface Area: 69.67 Å2; (7)Index of Refraction: 1.513; (8)Molar Refractivity: 58.66 cm3; (9)Molar Volume: 195 cm3; (10)Polarizability: 23.25×10-24 cm3; (11)Surface Tension: 42.5 dyne/cm; (12)Density: 1.21 g/cm3; (13)Flash Point: 178 °C; (14)Enthalpy of Vaporization: 64.67 kJ/mol; (15)Boiling Point: 396.4 °C at 760 mmHg; (16)Vapour Pressure: 1.71E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: O=C(OC)C(=O)CC(=O)c1ccc(OC)cc1
(2)InChI: InChI=1/C12H12O5/c1-16-9-5-3-8(4-6-9)10(13)7-11(14)12(15)17-2/h3-6H,7H2,1-2H3
(3)InChIKey: RSKKVNLCWKPWEI-UHFFFAOYAA