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29723-28-2

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Basic Information
CAS No.: 29723-28-2
Name: 2,4,6-TRIMETHOXY-BENZOIC ACID METHYL ESTER
Article Data: 9
Molecular Structure:
Molecular Structure of 29723-28-2 (2,4,6-TRIMETHOXY-BENZOIC ACID METHYL ESTER)
Formula: C11H14O5
Molecular Weight: 226.229
Synonyms: Methyl 2,4,6-trimethoxybenzoate;NSC 151971;
Density: 1.134 g/cm3
Boiling Point: 343.8 °C at 760 mmHg
Flash Point: 152 °C
PSA: 53.99000
LogP: 1.49900
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Specification

The Benzoic acid, 2, 4, 6-trimethoxy-, methyl ester, with the CAS registry number 29723-28-2, is also known as 2, 4, 6-Trimethoxy-benzoic acid methyl ester. This chemical's molecular formula is C11H14O5 and molecular weight is 226.23. What's more, its IUPAC name is Methyl 2, 4, 6-trimethoxybenzoate.

Physical properties about Benzoic acid, 2, 4, 6-trimethoxy-, methyl ester are: (1)ACD/LogP: 1.60; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 5; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 5; (6)Polar Surface Area: 53.99 Å2; (7)Index of Refraction: 1.494; (8)Molar Refractivity: 58.06 cm3; (9)Molar Volume: 199.3 cm3; (10)Polarizability: 23.01×10-24 cm3; (11)Surface Tension: 34.2 dyne/cm; (12)Density: 1.134 g/cm3; (13)Flash Point: 152 °C; (14)Enthalpy of Vaporization: 58.78 kJ/mol; (15)Boiling Point: 343.8 °C at 760 mmHg; (16)Vapour Pressure: 6.85E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OC)c1c(OC)cc(OC)cc1OC
(2) InChI: InChI=1/C11H14O5/c1-13-7-5-8(14-2)10(11(12)16-4)9(6-7)15-3/h5-6H,1-4H3
(3) InChIKey: CEARZEQLIHOYSV-UHFFFAOYAO