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Basic Information
CAS No.: 5653-46-3
Name: 2-HYDROXY-3,4-DIMETHOXYBENZOIC ACID
Molecular Structure:
Molecular Structure of 5653-46-3 (2-HYDROXY-3,4-DIMETHOXYBENZOIC ACID)
Formula: C9H10O5
Molecular Weight: 198.175
Synonyms: Veratricacid, 2-hydroxy- (7CI,8CI);3,4-Dimethoxysalicylic acid;NSC 37414;
EINECS: 227-096-9
Density: 1.335 g/cm3
Melting Point: 170-172 °C
Boiling Point: 334.2 °C at 760 mmHg
Flash Point: 134 °C
Hazard Symbols: Xi
Risk Codes: 36
Safety: 26
PSA: 75.99000
LogP: 1.10760
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Specification

The Benzoic acid,2-hydroxy-3,4-dimethoxy-, also known as 3,4-Dimethoxysalicylic acid, is the organic compound with the formula C9H10O5. It belongs to the product category of Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts. Its EINECS registry number is 227-096-9. With the CAS registry number 5653-46-3, its IUPAC name is 2-hydroxy-3,4-dimethoxybenzoic acid.

Physical properties of Benzoic acid,2-hydroxy-3,4-dimethoxy-: (1)ACD/LogP: 2.07; (2)ACD/LogD (pH 5.5): -0.9; (3)ACD/LogD (pH 7.4): -1.08; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 5; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 4; (11)Index of Refraction: 1.566; (12)Molar Refractivity: 48.42 cm3; (13)Molar Volume: 148.3 cm3; (14)Surface Tension: 51.6 dyne/cm; (15)Density: 1.335 g/cm3; (16)Flash Point: 134 °C; (17)Enthalpy of Vaporization: 60.92 kJ/mol; (18)Boiling Point: 334.2 °C at 760 mmHg; (19)Vapour Pressure: 5.13E-05 mmHg at 25°C.

Uses of Benzoic acid,2-hydroxy-3,4-dimethoxy-: it can be used to produce 2,3-Dimethoxy-phenol at temperature of 200 °C.

Benzoic acid,2-hydroxy-3,4-dimethoxy- can be used to produce 2,3-Dimethoxy-phenol

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: COC1=C(C(=C(C=C1)C(=O)O)O)OC
(2)InChI: InChI=1S/C9H10O5/c1-13-6-4-3-5(9(11)12)7(10)8(6)14-2/h3-4,10H,1-2H3,(H,11,12)
(3)InChIKey: CJFQIVAOBBTJCI-UHFFFAOYSA-N