2-[(4-Carboxymethylphenoxy)methyl]benzoic acid supplier

Name
BENZENE ACETIC ACID, 4-[(2-CARBOXYPHENYL)METHOXY]
EINECS 693-275-7
CAS No. 55453-89-9
Article Data8
CAS DataBase
Density 1.337g/cm³
Solubility
Melting Point 181-183 °C(Solv: ethanol (64-17-5); water (7732-18-5))
Formula C₁₆H₁₄O₅
Boiling Point 516.6 °C at 760 mmHg
Molecular Weight 286.284
Flash Point 194.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms BENZENE ACETIC ACID, 4-[(2-CARBOXYPHENYL)METHOXY];2-((4-(carboxymethyl)phenoxy)methyl)benzoic acid;
PSA 52.60000
LogP 2.96890

2-[(4-Carboxymethylphenoxy)methyl]benzoic acid Specification

The 2-[(4-Carboxymethylphenoxy)methyl]benzoic acid with cas registry number of 55453-89-9, has the systematic name of 2-{[4-(carboxymethyl)phenoxy]methyl}benzoic acid. And it is also named Benzene acetic acid, 4-[(2-carboxyphenyl)methoxy].

Physical properties about this chemical are: (1)ACD/LogP: 2.75; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1.23; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 5; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 6; (10)Polar Surface Area: 83.83 Å²; (11)Index of Refraction: 1.622; (12)Molar Refractivity: 75.46 cm³; (13)Molar Volume: 214.1 cm³; (14)Polarizability: 29.91×10^-24cm³; (15)Surface Tension: 60.2 dyne/cm; (16)Enthalpy of Vaporization: 83.04 kJ/mol; (17)Vapour Pressure: 1.69E-11 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: OC(=O)c2ccccc2COc1ccc(cc1)CC(O)=O;
(2)InChI: InChI=1/C16H14O5/c17-15(18)9-11-5-7-13(8-6-11)21-10-12-3-1-2-4-14(12)16(19)20/h1-8H,9-10H2,(H,17,18)(H,19,20);
(3)InChIKey: BCYWXPITXHFIQM-UHFFFAOYAI;
(4)Std. InChI: InChI=1S/C16H14O5/c17-15(18)9-11-5-7-13(8-6-11)21-10-12-3-1-2-4-14(12)16(19)20/h1-8H,9-10H2,(H,17,18)(H,19,20);
(5)Std. InChIKey: BCYWXPITXHFIQM-UHFFFAOYSA-N

Product Name

BENZENE ACETIC ACID, 4-[(2-CARBOXYPHENYL)METHOXY]

2-[(4-Carboxymethylphenoxy)methyl]benzoic acid Specification

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