Benzenebutanoic acid,4-methoxy-a,g-dioxo-, methyl ester supplier

Name
METHYL 4-(4-METHOXYPHENYL)-2,4-DIOXOBUTANOATE
EINECS
CAS No. 39757-31-8
Article Data12
CAS DataBase
Density 1.21 g/cm³
Solubility
Melting Point 96-98
Formula C₁₂H₁₂O₅
Boiling Point 396.4 °C at 760 mmHg
Molecular Weight 236.224
Flash Point 178 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms (4-Methoxybenzoyl)pyruvicacid methyl ester;Methyl (4-methoxybenzoyl)pyruvate;Methyl (p-methoxybenzoyl)pyruvate;Methyl p-anisoylpyruvate;NSC 208707;
PSA 72.83000
LogP 1.49280

Benzenebutanoic acid,4-methoxy-a,g-dioxo-, methyl ester Specification

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

Product Name

METHYL 4-(4-METHOXYPHENYL)-2,4-DIOXOBUTANOATE

Benzenebutanoic acid,4-methoxy-a,g-dioxo-, methyl ester Specification

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