Benzenepropanal,4-(acetyloxy)-a-oxo- supplier

Name
3-(4-ACETOXYPHENYL)-2-OXOPROPANAL
EINECS
CAS No. 56071-70-6
Article Data1
CAS DataBase
Density 1.207g/cm³
Solubility
Melting Point
Formula C₁₁H₁₀O₄
Boiling Point 329.3 °C at 760 mmHg
Molecular Weight 206.198
Flash Point 145.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-(4-Acetoxyphenyl)-2-oxopropanal;
PSA 60.44000
LogP 0.92240

Benzenepropanal,4-(acetyloxy)-a-oxo- Specification

The Benzenepropanal,4-(acetyloxy)-a-oxo-, with CAS registry number 56071-70-6, has the systematic name of 4-(2,3-dioxopropyl)phenyl acetate. Besides this, it is also called 3-(4-Acetoxyphenyl)-2-oxopropanal. And the chemical formula of this chemical is C₁₁H₁₀O₄.

Physical properties of Benzenepropanal,4-(acetyloxy)-a-oxo-: (1)ACD/LogP: 0.31; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.31; (4)ACD/LogD (pH 7.4): 0.31; (5)ACD/BCF (pH 5.5): 1.01; (6)ACD/BCF (pH 7.4): 1.01; (7)ACD/KOC (pH 5.5): 35.16; (8)ACD/KOC (pH 7.4): 35.16; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 60.44 Å²; (13)Index of Refraction: 1.52; (14)Molar Refractivity: 51.99 cm³; (15)Molar Volume: 170.8 cm³; (16)Polarizability: 20.61×10^-24cm³; (17)Surface Tension: 43.6 dyne/cm; (18)Density: 1.207 g/cm³; (19)Flash Point: 145.8 °C; (20)Enthalpy of Vaporization: 57.18 kJ/mol; (21)Boiling Point: 329.3 °C at 760 mmHg; (22)Vapour Pressure: 0.000179 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(Oc1ccc(cc1)CC(=O)C=O)C
(2)InChI: InChI=1/C11H10O4/c1-8(13)15-11-4-2-9(3-5-11)6-10(14)7-12/h2-5,7H,6H2,1H3
(3)InChIKey: WTTNJGRXXQNHFV-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C11H10O4/c1-8(13)15-11-4-2-9(3-5-11)6-10(14)7-12/h2-5,7H,6H2,1H3
(5)Std. InChIKey: WTTNJGRXXQNHFV-UHFFFAOYSA-N

Product Name

3-(4-ACETOXYPHENYL)-2-OXOPROPANAL

Benzenepropanal,4-(acetyloxy)-a-oxo- Specification

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