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Butanoic acid,4-formylphenyl ester

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Name

Butanoic acid,4-formylphenyl ester

EINECS N/A
CAS No. 50262-49-2 Density 1.119 g/cm3
PSA 43.37000 LogP 2.20460
Solubility N/A Melting Point N/A
Formula C11H12O3 Boiling Point 304.5 °C at 760 mmHg
Molecular Weight 192.214 Flash Point 132.8 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 50262-49-2 (P-BUTYRYLOXYBENZALDEHYDE) Hazard Symbols N/A
Synonyms

4-Formylphenyl butanoate;p-Formylphenyl butyrate;(4-Formylphenyl) butanoate;4-Formylphenyl butyrate;p-Butyryloxybenzaldehyde;p-Formylphenyl butyrate;

Article Data 2

Butanoic acid,4-formylphenyl ester Specification

The Butanoic acid,4-formylphenyl ester, with the CAS registry number of 50262-49-2, is also known as p-Formylphenyl butyrate. The molecular formula of this chemical is C11H12O3 and its molecular weight is 192.21. What's more, its IUPAC name is (4-Formylphenyl) butanoate.

Physical properties about Butanoic acid,4-formylphenyl ester are: (1)ACD/LogP: 2.25; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.25; (4)ACD/LogD (pH 7.4): 2.25; (5)ACD/BCF (pH 5.5): 30.13; (6)ACD/BCF (pH 7.4): 30.13; (7)ACD/KOC (pH 5.5): 398.34; (8)ACD/KOC (pH 7.4): 398.34; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 43.37 Å2; (13)Index of Refraction: 1.536; (14)Molar Refractivity: 53.61 cm3; (15)Molar Volume: 171.7 cm3; (16)Polarizability: 21.25×10-24 cm3; (17)Surface Tension: 40.5 dyne/cm; (18)Density: 1.119 g/cm3; (19)Flash Point: 132.8 °C; (20)Enthalpy of Vaporization: 54.48 kJ/mol; (21)Boiling Point: 304.5 °C at 760 mmHg; (22)Vapour Pressure: 0.000873 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(Oc1ccc(cc1)C=O)CCC
(2) InChI: InChI=1/C11H12O3/c1-2-3-11(13)14-10-6-4-9(8-12)5-7-10/h4-8H,2-3H2,1H3
(3) InChIKey: DAFTVVBQFUITOL-UHFFFAOYAY

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