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CAS No.: | 20872-29-1 |
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Name: | 4-ACETOXYPHENOXYACETIC ACID |
Molecular Structure: | |
Formula: | C10H10O5 |
Molecular Weight: | 210.18 |
Synonyms: | Aceticacid, 2-[4-(acetyloxy)phenoxy]-CAS;Aceticacid, (p-hydroxyphenoxy)-, acetate (8CI);Acetic acid, [4-(acetyloxy)phenoxy]-(9CI);4-Acetoxyphenoxyacetic acid; |
Density: | 1.296 g/cm3 |
Boiling Point: | 365.483 °C at 760 mmHg |
Flash Point: | 145.578 °C |
PSA: | 72.83000 |
LogP: | 1.07530 |
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The Aceticacid, 2-[4-(acetyloxy)phenoxy]-, with CAS registry number 20872-29-1, belongs to the following product category: Phenoxyacetic Acids and Alcohols (substituted). It has the systematic name of [4-(acetyloxy)phenoxy]acetic acid. And the chemical formula of this chemical is C10H10O5.
Physical properties of Aceticacid, 2-[4-(acetyloxy)phenoxy]-: (1)ACD/LogP: 0.69; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 5; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 5; (10)Polar Surface Area: 72.83 Å2; (11)Index of Refraction: 1.534; (12)Molar Refractivity: 50.46 cm3; (13)Molar Volume: 162.1 cm3; (14)Polarizability: 20×10-24cm3; (15)Surface Tension: 48 dyne/cm; (16)Density: 1.295 g/cm3; (17)Flash Point: 145.6 °C; (18)Enthalpy of Vaporization: 64.55 kJ/mol; (19)Boiling Point: 365.5 °C at 760 mmHg; (20)Vapour Pressure: 5.52E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: CC(=O)Oc1ccc(OCC(O)=O)cc1
(2)InChI: InChI=1/C10H10O5/c1-7(11)15-9-4-2-8(3-5-9)14-6-10(12)13/h2-5H,6H2,1H3,(H,12,13)
(3)InChIKey: GEHROUVMFOQBMR-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C10H10O5/c1-7(11)15-9-4-2-8(3-5-9)14-6-10(12)13/h2-5H,6H2,1H3,(H,12,13)
(5)Std. InChIKey: GEHROUVMFOQBMR-UHFFFAOYSA-N