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CAS No.: | 2169-28-0 |
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Name: | 3-HYDROXY-2-METHOXYBENZOIC ACID |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C8H8O4 |
Molecular Weight: | 168.149 |
Synonyms: | o-Anisicacid, 3-hydroxy- (7CI,8CI);3-Hydroxy-2-methoxybenzoic acid; |
Density: | 1.352 g/cm3 |
Boiling Point: | 346.096 °C at 760 mmHg |
Flash Point: | 146.026 °C |
PSA: | 66.76000 |
LogP: | 1.09900 |
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The Benzoic acid,3-hydroxy-2-methoxy-, with the CAS registry number 2169-28-0, is also known as o-Anisicacid, 3-hydroxy- (7CI,8CI). This chemical's molecular formula is C8H8O4 and molecular weight is 168.15. What's more, its systematic name is 3-Hydroxy-2-methoxybenzoic acid and it belongs to the product category of Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts.
Physical properties of Benzoic acid,3-hydroxy-2-methoxy- are: (1)ACD/LogP: 0.77; (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): 2; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 66.76 Å2; (11)Index of Refraction: 1.586; (12)Molar Refractivity: 41.743 cm3; (13)Molar Volume: 124.395 cm3; (14)Polarizability: 16.548×10-24 cm3; (15)Surface Tension: 56.524 dyne/cm; (16)Density: 1.352 g/cm3; (17)Flash Point: 146.026 °C; (18)Enthalpy of Vaporization: 62.29 kJ/mol; (19)Boiling Point: 346.096 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: COc1c(cccc1O)C(O)=O
(2)InChI: InChI=1S/C8H8O4/c1-12-7-5(8(10)11)3-2-4-6(7)9/h2-4,9H,1H3,(H,10,11)
(3)InChIKey: DSMHCSBCMFQGAZ-UHFFFAOYSA-N