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| CAS No.: | 52962-25-1 |
|---|---|
| Name: | 2-CARBOXYMETHYL-5-METHOXY-BENZOIC ACID |
| Article Data: | 15 |
| Molecular Structure: | |
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| Formula: | C10H10O5 |
| Molecular Weight: | 210.186 |
| Synonyms: | 2-Carboxymethyl-5-methoxy-benzoic acid; |
| Density: | 1.37 g/cm3 |
| Boiling Point: | 425.3 °C at 760 mmHg |
| Flash Point: | 172.4 °C |
| PSA: | 83.83000 |
| LogP: | 1.02050 |
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- Total:26 Page 1 of 1 1
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Specification
The Benzeneacetic acid,2-carboxy-4-methoxy-, with the CAS registry number 52962-25-1, is also known as 2-Carboxymethyl-5-methoxy-benzoic acid. This chemical's molecular formula is C10H10O5 and molecular weight is 210.1834.
Physical properties about this chemical are: (1)ACD/LogP: 1.31; (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; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 5; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 61.83 Å2; (11)Index of Refraction: 1.578; (12)Molar Refractivity: 50.97 cm3; (13)Molar Volume: 153.4 cm3; (14)Surface Tension: 58.6 dyne/cm; (15)Density: 1.37 g/cm3; (16)Flash Point: 172.4 °C; (17)Enthalpy of Vaporization: 71.68 kJ/mol; (18)Boiling Point: 425.3 °C at 760 mmHg; (19)Vapour Pressure: 5.44E-08 mmHg at 25 °C.
Preparation of Benzeneacetic acid,2-carboxy-4-methoxy-: this chemical can be prepared by Acetoacetic acid ethyl ester and 2-Bromo-5-methoxy-benzoic acid.
This reaction needs reagents NaH, Cu2Br2. The yield is 70%.
Uses of Benzeneacetic acid,2-carboxy-4-methoxy-: it is used to produce other chemicals. For example, it is used to produce 7-Methoxy-isochroman-1,3-dione.
The reaction occurs with reagent Acetyl chloride and other condition of heating for 1 hour. The yield is 65%.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)c1cc(OC)ccc1CC(=O)O
(2) InChI: InChI=1/C10H10O5/c1-15-7-3-2-6(4-9(11)12)8(5-7)10(13)14/h2-3,5H,4H2,1H3,(H,11,12)(H,13,14)
(3) InChIKey: TUJHFMJYEXSKLS-UHFFFAOYAM