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CAS No.: | 2615-71-6 |
---|---|
Name: | 3-Hydroxy-5-methyl-benzoic acid methyl ester |
Article Data: | 10 |
Molecular Structure: | |
Formula: | C9H10O3 |
Molecular Weight: | 166.177 |
Synonyms: | Methyl 3-hydroxy-5-methylbenzoate; |
Density: | 1.17 g/cm3 |
Melting Point: | 96-97 °C |
Boiling Point: | 303.562 °C at 760 mmHg |
Flash Point: | 133.881 °C |
PSA: | 46.53000 |
LogP: | 1.48720 |
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The CAS registry number of 3-Hydroxy-5-methyl-benzoic acid methyl ester is 2615-71-6. This chemical's molecular formula is C9H10O3 and molecular weight is 166.1739. What's more, its systematic name is called Methyl 3-hydroxy-5-methylbenzoate.
Physical properties about 3-Hydroxy-5-methyl-benzoic acid methyl ester are: (1)ACD/LogP: 2.28; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 36; (6)ACD/BCF (pH 7.4): 35; (7)ACD/KOC (pH 5.5): 452; (8)ACD/KOC (pH 7.4): 446; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 46.53Å2 ; (13)Index of Refraction: 1.542; (14)Molar Refractivity: 44.733 cm3; (15)Molar Volume: 142.031 cm3; (16)Polarizability: 17.733×10-24 cm3; (17)Surface Tension: 43.51 dyne/cm; (18)Density: 1.17 g/cm3; (19)Flash Point: 133.881 °C; (20)Enthalpy of Vaporization: 56.559 kJ/mol; (21)Boiling Point: 303.562 °C at 760 mmHg; (22)Vapour Pressure: 0.001 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Cc1cc(cc(O)c1)C(=O)OC
(2) InChI: InChI=1/C9H10O3/c1-6-3-7(9(11)12-2)5-8(10)4-6/h3-5,10H,1-2H3
(3) InChIKey: PBUWDSBWYMQASI-UHFFFAOYAR