Products Categories
CAS No.: | 585-81-9 |
---|---|
Name: | 3-HYDROXY-5-METHYL-BENZOIC ACID |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C8H8O3 |
Molecular Weight: | 152.15 |
Synonyms: | 3,5-Cresoticacid (8CI);3-Hydroxy-5-methylbenzoic acid;5-Hydroxy-m-toluic acid;NSC 28456; |
Density: | 1.304 g/cm3 |
Melting Point: | 210°C |
Boiling Point: | 351 °C at 760 mmHg |
Flash Point: | 180.3 °C |
PSA: | 57.53000 |
LogP: | 1.39880 |
What can I do for you?
Get Best Price
The Benzoic acid, 3-hydroxy-5-methyl-, with the CAS registry number of 585-81-9, is also known as 3, 5-Cresoticacid (8CI). This chemical's molecular formula is C8H8O3 and molecular weight is 152.14732. What's more, its IUPAC name is 3-Hydroxy-5-methylbenzoic acid.
Physical properties about Benzoic acid, 3-hydroxy-5-methyl- are: (1)ACD/LogP: 1.96; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.48; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 9.25; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 35.53 Å2; (12)Index of Refraction: 1.599; (13)Molar Refractivity: 39.88 cm3; (14)Molar Volume: 116.6 cm3; (15)Surface Tension: 58 dyne/cm; (16)Density: 1.304 g/cm3; (17)Flash Point: 180.3 °C; (18)Enthalpy of Vaporization: 62.85 kJ/mol; (19)Boiling Point: 351 °C at 760 mmHg; (20)Vapour Pressure: 1.58E-05 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)c1cc(O)cc(c1)C
(2) InChI: InChI=1/C8H8O3/c1-5-2-6(8(10)11)4-7(9)3-5/h2-4,9H,1H3,(H,10,11)
(3) InChIKey: CFXOUQXGRQXUSE-UHFFFAOYAK