Benzeneacetic acid, 2-carboxy-4,5-dimethoxy- supplier

Name
2-(CarboxyMethyl)-4,5-diMethoxybenzoic acid
EINECS 1312995-182-4
CAS No. 3809-00-5
Article Data11
CAS DataBase
Density 1.354 g/cm³
Solubility
Melting Point 215 °C (decomp)
Formula C₁₁H₁₂O₆
Boiling Point 427.634 °C at 760 mmHg
Molecular Weight 240.213
Flash Point 167.679 °C
Transport Information
Appearance White powder soild
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-(CarboxyMethyl)-4,5-diMethoxybenzoic acid
PSA 93.06000
LogP 1.02910

Benzeneacetic acid, 2-carboxy-4,5-dimethoxy- Specification

The CAS registry number of Benzeneacetic acid, 2-carboxy-4,5-dimethoxy- is 3809-00-5. This chemical's molecular formula is C₁₁H₁₂O₆ and molecular weight is 240.21. What's more, its systematic name is called 2-(Carboxymethyl)-4,5-dimethoxybenzoic acid.

Physical properties about Benzeneacetic acid, 2-carboxy-4,5-dimethoxy- are: (1)ACD/LogP: 0.691; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.95; (4)ACD/LogD (pH 7.4): -4.03; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 6; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 93.06 Å²; (13)Index of Refraction: 1.563; (14)Molar Refractivity: 57.654 cm³; (15)Molar Volume: 177.41 cm³; (16)Polarizability: 22.856×10^-24cm³; (17)Surface Tension: 54.092 dyne/cm; (18)Density: 1.354 g/cm³; (19)Flash Point: 167.679 °C; (20)Enthalpy of Vaporization: 71.96 kJ/mol; (21)Boiling Point: 427.634 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)Cc1cc(OC)c(OC)cc1C(=O)O
(2) InChI: InChI=1S/C11H12O6/c1-16-8-3-6(4-10(12)13)7(11(14)15)5-9(8)17-2/h3,5H,4H2,1-2H3,(H,12,13)(H,14,15)
(3) InChIKey: NOUUHGZLGUYQON-UHFFFAOYSA-N

Product Name

2-(CarboxyMethyl)-4,5-diMethoxybenzoic acid

Benzeneacetic acid, 2-carboxy-4,5-dimethoxy- Specification

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