CAS No.64360-47-0,METHYL 2-(4-HYDROXY-3-METHYLPHENYL)ACETATE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	64360-47-0
Name:	METHYL 2-(4-HYDROXY-3-METHYLPHENYL)ACETATE
Article Data:	1

Formula:	C₁₀H₁₂O₃
Molecular Weight:	180.203
Synonyms:	(4-Hydroxy-3-methylphenyl)aceticacid methyl ester;
Density:	1.148 g/cm³
Boiling Point:	285.9 °C at 760 mmHg
Flash Point:	119.9 °C
PSA:	46.53000
LogP:	1.41610

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Specification

The Benzeneacetic acid,4-hydroxy-3-methyl-, methyl ester, with the CAS registry number 64360-47-0, is also known as 2-(4-Hydroxy-3-methylphenyl)acetic acid methyl ester. It belongs to the product category of Aromatic Phenylacetic Acids and Derivatives. This chemical's molecular formula is C₁₀H₁₂O₃ and molecular weight is 180.2. Its IUPAC name is called methyl 2-(4-hydroxy-3-methylphenyl)acetate.

Physical properties of Benzeneacetic acid,4-hydroxy-3-methyl-, methyl ester: (1)ACD/LogP: 1.69; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.69; (4)ACD/LogD (pH 7.4): 1.69; (5)ACD/BCF (pH 5.5): 11.33; (6)ACD/BCF (pH 7.4): 11.31; (7)ACD/KOC (pH 5.5): 197.78; (8)ACD/KOC (pH 7.4): 197.41; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Index of Refraction: 1.535; (13)Molar Refractivity: 48.91 cm³; (14)Molar Volume: 156.9 cm³; (15)Surface Tension: 42.6 dyne/cm; (16)Density: 1.148 g/cm³; (17)Flash Point: 119.9 °C; (18)Enthalpy of Vaporization: 54.61 kJ/mol; (19)Boiling Point: 285.9 °C at 760 mmHg; (20)Vapour Pressure: 0.00158 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=C(C=CC(=C1)CC(=O)OC)O
(2)InChI: InChI=1S/C10H12O3/c1-7-5-8(3-4-9(7)11)6-10(12)13-2/h3-5,11H,6H2,1-2H3
(3)InChIKey: UBFCYPQWMPUWJN-UHFFFAOYSA-N