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2554-82-7

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Basic Information
CAS No.: 2554-82-7
Name: 2-ACETOXY-3-METHOXYBENZOIC ACID
Article Data: 7
Molecular Structure:
Molecular Structure of 2554-82-7 (2-ACETOXY-3-METHOXYBENZOIC ACID)
Formula: C10H10O5
Molecular Weight: 210.186
Synonyms: m-Anisicacid, 2-hydroxy-, acetate (7CI,8CI);2-Acetoxy-3-methoxybenzoic acid;
Density: 1.285 g/cm3
Boiling Point: 324.259 °C at 760 mmHg
Flash Point: 126.314 °C
PSA: 72.83000
LogP: 1.31870
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Specification

The Benzoic acid, 2-(acetyloxy)-3-methoxy-, with the CAS registry number 2554-82-7, is also known as m-Anisicacid, 2-hydroxy-, acetate (7CI, 8CI). It belongs to the product category of Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts. This chemical's molecular formula is C10H10O5 and molecular weight is 210.18. What's more, its systematic name is 2-(Acetyloxy)-3-methoxybenzoic acid.

Physical properties about Benzoic acid, 2-(acetyloxy)-3-methoxy- are: (1)ACD/LogP: 1.59; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1; (4)ACD/LogD (pH 7.4): -2; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 72.83 Å2; (13)Index of Refraction: 1.538; (14)Molar Refractivity: 51.202 cm3; (15)Molar Volume: 163.594 cm3; (16)Polarizability: 20.298×10-24 cm3; (17)Surface Tension: 46.67 dyne/cm; (18)Density: 1.285 g/cm3; (19)Flash Point: 126.314 °C; (20)Enthalpy of Vaporization: 59.778 kJ/mol; (21)Boiling Point: 324.259 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: COc1cccc(c1OC(C)=O)C(O)=O
(2) InChI: InChI=1/C10H10O5/c1-6(11)15-9-7(10(12)13)4-3-5-8(9)14-2/h3-5H,1-2H3,(H,12,13)
(3) InChIKey: GOBRPXJFIGHDQG-UHFFFAOYAR