CAS No.3556-86-3,METHYL 3-HYDROXY-4-METHYLBENZOATE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	3556-86-3
Name:	METHYL 3-HYDROXY-4-METHYLBENZOATE
Article Data:	22

Formula:	C₉H₁₀O₃
Molecular Weight:	166.177
Synonyms:	3,4-Cresoticacid, methyl ester (6CI,7CI,8CI);3-Hydroxy-4-methylbenzoic acid methyl ester;Methyl 3-hydroxy-4-methylbenzoate;Methyl 4-methyl-3-hydroxybenzoate;NSC604566;
Density:	1.169 g/cm³
Melting Point:	119.0-120.5 °C
Boiling Point:	294.6 °C at 760 mmHg
Flash Point:	128.9 °C
PSA:	46.53000
LogP:	1.48720

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Specification

This chemical is called Benzoic acid, 3-hydroxy-4-methyl-, methyl ester, and its systematic name is Methyl 3-hydroxy-4-methylbenzoate. With the molecular formula of C₉H₁₀O₃, its molecular weight is 166.17. The CAS registry number of this chemical is 3556-86-3. Additionally, its product categories are Esters; Phenyls & Phenyl-Het.

Other characteristics of the Benzoic acid, 3-hydroxy-4-methyl-, methyl ester can be summarised as followings: (1)ACD/LogP: 2.35; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 35.53 Å²; (7)Index of Refraction: 1.542; (8)Molar Refractivity: 44.73 cm³; (9)Molar Volume: 142 cm³; (10)Polarizability: 17.73×10^-24cm³; (11)Surface Tension: 43.5 dyne/cm; (12)Density: 1.169 g/cm³; (13)Flash Point: 128.9 °C; (14)Enthalpy of Vaporization: 55.57 kJ/mol; (15)Boiling Point: 294.6 °C at 760 mmHg; (16)Vapour Pressure: 0.00091 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: O=C(OC)c1cc(O)c(cc1)C
2.InChI: InChI=1/C9H10O3/c1-6-3-4-7(5-8(6)10)9(11)12-2/h3-5,10H,1-2H3
3.InChIKey: GCSINTLJUNXLLU-UHFFFAOYAF