Dimethyl 4-methoxybenzylidenemalonate supplier

Name
dimethyl (p-methoxybenzylidene)malonate
EINECS 231-185-8
CAS No. 7443-25-6
Article Data50
CAS DataBase
Density 1.187 g/cm³
Solubility 91mg/L at 20℃
Melting Point 56-57℃
Formula C₁₃H₁₄O₅
Boiling Point 335.5 °C at 760 mmHg
Molecular Weight 250.251
Flash Point 145.9 °C
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Hazard Symbols
Synonyms Malonicacid, (p-methoxybenzylidene)-, dimethyl ester (7CI,8CI);Propanedioic acid,[(4-methoxyphenyl)methylene]-, dimethyl ester (9CI);Cyasorb UV 1988;Dimethyl(p-methoxybenzylidene)malonate;Dimethyl 4-methoxybenzylidenemalonate;HostavinBRE 25;Hostavin PR 25;NSC 306435;PR 25;Sanduvor PR 25;[(4-Methoxyphenyl)methylene]malonic acid dimethyl ester;p-Methoxybenzylidenemalonic acid dimethyl ester;
PSA 61.83000
LogP 1.42460

Dimethyl 4-methoxybenzylidenemalonate Specification

The Propanedioic acid,2-[(4-methoxyphenyl)methylene]-, 1,3-dimethyl ester, with the CAS registry number 7443-25-6, is also known as Malonic acid, (p-methoxybenzylidene)-, dimethyl ester. Its EINECS number is 231-185-8. This chemical's molecular formula is C₁₃H₁₄O₅ and molecular weight is 250.25. What's more, its systematic name is dimethyl (4-methoxybenzylidene)propanedioate.

Physical properties of Propanedioic acid,2-[(4-methoxyphenyl)methylene]-, 1,3-dimethyl ester are: (1)ACD/LogP: 1.98; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.98; (4)ACD/LogD (pH 7.4): 1.98; (5)ACD/BCF (pH 5.5): 18.76; (6)ACD/BCF (pH 7.4): 18.76; (7)ACD/KOC (pH 5.5): 283.82; (8)ACD/KOC (pH 7.4): 283.82; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 61.83 Å²; (13)Index of Refraction: 1.54; (14)Molar Refractivity: 66.11 cm³; (15)Molar Volume: 210.6 cm³; (16)Polarizability: 26.2×10^-24 cm³; (17)Surface Tension: 40.6 dyne/cm; (18)Density: 1.187 g/cm³; (19)Flash Point: 145.9 °C; (20)Enthalpy of Vaporization: 57.85 kJ/mol; (21)Boiling Point: 335.5 °C at 760 mmHg; (22)Vapour Pressure: 0.00012 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: O=C(OC)/C(=C\c1ccc(OC)cc1)C(=O)OC
(2)InChI: InChI=1/C13H14O5/c1-16-10-6-4-9(5-7-10)8-11(12(14)17-2)13(15)18-3/h4-8H,1-3H3
(3)InChIKey: JMFYZMAVUHNCPW-UHFFFAOYAA

Product Name

dimethyl (p-methoxybenzylidene)malonate

Dimethyl 4-methoxybenzylidenemalonate Specification

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