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| CAS No.: | 100523-85-1 |
|---|---|
| Name: | 4-ETHYL-3-HYDROXYBENZOIC ACID |
| Molecular Structure: | |
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| Formula: | C9H10O3 |
| Molecular Weight: | 166.177 |
| Synonyms: | 4-ETHYL-3-HYDROXYBENZOIC ACID;4-ETHYL-3-HYDROXYBENZOIC ACID, 98+%;Benzoic acid,4-ethyl-3-hydroxy- |
| Density: | 1.247 g/cm3 |
| Boiling Point: | 336.7 °C at 760 mmHg |
| Flash Point: | 171.6 °C |
| PSA: | 57.53000 |
| LogP: | 1.65280 |
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Specification
The 4-Ethyl-3-hydroxybenzoic acid with cas registry number of 100523-85-1, its systematic name is 4-ethyl-3-hydroxybenzoic acid. And it is also named 4-Ethyl-3-hydroxybenzoic acid, 98+%; benzoic acid, 4-ethyl-3-hydroxy-.
Physical properties of 4-Ethyl-3-hydroxybenzoic acid: (1)ACD/LogP: 2.49; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.09; (4)ACD/BCF (pH 5.5): 1.83; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 21.43; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 57.53 Å2; (12)Index of Refraction: 1.584; (13)Molar Refractivity: 44.61 cm3; (14)Molar Volume: 133.2 cm3; (15)Polarizability: 17.68×10-24cm3; (16)Surface Tension: 53.9 dyne/cm; (17)Enthalpy of Vaporization: 61.21 kJ/mol; (18)Vapour Pressure: 4.31E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES:CCc1ccc(cc1O)C(O)=O;
(2)InChI:InChI=1/C9H10O3/c1-2-6-3-4-7(9(11)12)5-8(6)10/h3-5,10H,2H2,1H3,(H,11,12);
(3)InChIKey:ZRMANCODDGUNJI-UHFFFAOYAS;
(4)Std. InChI:InChI=1S/C9H10O3/c1-2-6-3-4-7(9(11)12)5-8(6)10/h3-5,10H,2H2,1H3,(H,11,12);
(5)Std. InChIKey:ZRMANCODDGUNJI-UHFFFAOYSA-N.