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68535-61-5

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Basic Information
CAS No.: 68535-61-5
Name: 5-acetyl-2-methoxybenzoic acid
Article Data: 4
Molecular Structure:
Molecular Structure of 68535-61-5 (5-acetyl-2-methoxybenzoic acid)
Formula: C10H10O4
Molecular Weight: 194.187
Synonyms: o-Anisic acid, 5-acetyl- (6CI);2-Methoxy-5-acetylbenzoicacid;
Density: 1.233 g/cm3
Boiling Point: 393.388 °C at 760 mmHg
Flash Point: 160.047 °C
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Specification

The CAS registry number of Benzoicacid, 5-acetyl-2-methoxy- is 68535-61-5. This chemical's molecular formula is C10H10O4 and molecular weight is 194.184. What's more, its systematic name is called 5-Acetyl-2-methoxybenzoic acid.

Physical properties about Benzoicacid, 5-acetyl-2-methoxy- are: (1)ACD/LogP: 1.48; (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: 1; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 63.6 Å2; (11)Index of Refraction: 1.546; (12)Molar Refractivity: 49.889 cm3; (13)Molar Volume: 157.496 cm3; (14)Polarizability: 19.778×10-24 cm3; (15)Surface Tension: 46.49 dyne/cm; (16)Density: 1.233 g/cm3; (17)Flash Point: 160.047 °C; (18)Enthalpy of Vaporization: 67.843 kJ/mo; (19)Boiling Point: 393.388 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: COc1ccc(cc1C(O)=O)C(C)=O
(2) InChI: InChI=1/C10H10O4/c1-6(11)7-3-4-9(14-2)8(5-7)10(12)13/h3-5H,1-2H3,(H,12,13)
(3) InChIKey: GJDAMLVEFRMIHZ-UHFFFAOYAV