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5-Methoxyisophthalic acid

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Name

5-Methoxyisophthalic acid

EINECS N/A
CAS No. 46331-50-4 Density 1.416 g/cm3
PSA 83.83000 LogP 1.09160
Solubility N/A Melting Point 275-280 °C(lit.)
Formula C9H8O5 Boiling Point 440.8 °C at 760 mmHg
Molecular Weight 196.16 Flash Point 183.6 °C
Transport Information N/A Appearance N/A
Safety 24/25 Risk Codes N/A
Molecular Structure Molecular Structure of 46331-50-4 (5-METHOXYISOPHTHALIC ACID) Hazard Symbols N/A
Synonyms

Isophthalicacid, 5-methoxy- (6CI,7CI);5-Methoxy-1,3-benzenedicarboxylic acid;5-Methoxyisophthalic acid;NSC 302547;

Article Data 18

5-Methoxyisophthalic acid Specification

The 5-Methoxyisophthalic acid, its cas register number is 46331-50-4. It also can be called as 5-Methoxybenzene-1,3-dicarboxylic acid and the IUPAC name about this chemical is 5-Methoxybenzene-1,3-dicarboxylic acid. It belongs to the following product categories, such as Organic acids, C9, Carbonyl Compounds, Carboxylic Acids. WGK Germany about this chemical is 3. 3,5-dimethyl-anisole react with KMnO4 can get this chemical. Also this chemical react with N-hydroxy-succinimide can get 1,3-bis[(succinimidooxy)carbonyl]-5-methoxybenzene.

Following are the chemical properties about 5-Methoxyisophthalic acid: (1)#H bond acceptors: 5; (2)#H bond donors: 2; (3)#Freely Rotating Bonds: 3; (4)Polar Surface Area: 61.83Å2; (5)Index of Refraction: 1.59; (6)Molar Refractivity: 46.79 cm3; (7)Molar Volume: 138.4 cm3; (8)Polarizability: 18.54x10-24cm3; (9)Surface Tension: 61.7 dyne/cm; (10)Enthalpy of Vaporization: 73.56 kJ/mol; (11)Vapour Pressure: 1.51E-08 mmHg at 25°C

This chemical can be described computed from structure:
(1)Canonical SMILES: COC1=CC(=CC(=C1)C(=O)O)C(=O)O
(2)InChI: InChI=1S/C9H8O5/c1-14-7-3-5(8(10)11)2-6(4-7)9(12)13/h2-4H,1H3,(H,10,11)(H,12,13)
(3)InChIKey: POSMIIJADZKUPL-UHFFFAOYSA-N 

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