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CAS No.: | 22446-38-4 |
---|---|
Name: | ethyl 3-hydroxyphenylacetate |
Article Data: | 36 |
Molecular Structure: | |
Formula: | C10H12O3 |
Molecular Weight: | 180.203 |
Synonyms: | Aceticacid, (m-hydroxyphenyl)-, ethyl ester (8CI);(3-Hydroxyphenyl)acetic acid ethylester;Ethyl 2-(3-hydroxyphenyl)acetate;Ethyl 3-hydroxyphenylacetate; |
Density: | 1.146 g/cm3 |
Boiling Point: | 292.5 °C at 760 mmHg |
Flash Point: | 123.6 °C |
PSA: | 46.53000 |
LogP: | 1.49780 |
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The Benzeneaceticacid, 3-hydroxy-, ethyl ester, with CAS registry number 22446-38-4, has the systematic name of ethyl (3-hydroxyphenyl)acetate. Besides this, it is also called (3-Hydroxyphenyl)acetic acid ethyl ester. And the chemical formula of this chemical is C10H12O3.
Physical properties of Benzeneaceticacid, 3-hydroxy-, ethyl ester: (1)ACD/LogP: 1.76; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.76; (4)ACD/LogD (pH 7.4): 1.76; (5)ACD/BCF (pH 5.5): 12.83; (6)ACD/BCF (pH 7.4): 12.78; (7)ACD/KOC (pH 5.5): 216.25; (8)ACD/KOC (pH 7.4): 215.3; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 35.53 Å2; (13)Index of Refraction: 1.532; (14)Molar Refractivity: 48.72 cm3; (15)Molar Volume: 157.1 cm3; (16)Polarizability: 19.31×10-24cm3; (17)Surface Tension: 43.2 dyne/cm; (18)Density: 1.146 g/cm3; (19)Flash Point: 123.6 °C; (20)Enthalpy of Vaporization: 55.33 kJ/mol; (21)Boiling Point: 292.5 °C at 760 mmHg; (22)Vapour Pressure: 0.00104 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)Cc1cc(O)ccc1
(2)InChI: InChI=1/C10H12O3/c1-2-13-10(12)7-8-4-3-5-9(11)6-8/h3-6,11H,2,7H2,1H3
(3)InChIKey: NSQBADKMIYCCSC-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C10H12O3/c1-2-13-10(12)7-8-4-3-5-9(11)6-8/h3-6,11H,2,7H2,1H3
(5)Std. InChIKey: NSQBADKMIYCCSC-UHFFFAOYSA-N