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70129-95-2

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Basic Information
CAS No.: 70129-95-2
Name: methyl 2-(4-formylphenoxy)propanoate
Article Data: 5
Molecular Structure:
Molecular Structure of 70129-95-2 (methyl 2-(4-formylphenoxy)propanoate)
Formula: C11H12O4
Molecular Weight: 208.2106
Synonyms: Methyl 2-(4-Formylphenoxy)propionat;
Density: 1.166 g/cm3
Boiling Point: 321.7 °C at 760 mmHg
Flash Point: 141.3 °C
PSA: 52.60000
LogP: 1.43940
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Specification

The CAS registry number of Propanoic acid,2-(4-formylphenoxy)-, methyl ester is 70129-95-2. This chemical is also named as Methyl 2-(4-Formylphenoxy)propionat. In addition, its molecular formula is C11H12O4 and molecular weight is 208.2106. Its systematic name and IUPAC name are the same which is called methyl 2-(4-formylphenoxy)propanoate.

Physical properties about Propanoic acid,2-(4-formylphenoxy)-, methyl ester are: (1)ACD/LogP: 1.32; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.32; (4)ACD/LogD (pH 7.4): 1.32; (5)ACD/BCF (pH 5.5): 5.96; (6)ACD/BCF (pH 7.4): 5.96; (7)ACD/KOC (pH 5.5): 124.92; (8)ACD/KOC (pH 7.4): 124.92; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Index of Refraction: 1.532; (13)Molar Refractivity: 55.31 cm3; (14)Molar Volume: 178.4 cm3; (15)Surface Tension: 40.5 dyne/cm; (16)Density: 1.166 g/cm3; (17)Flash Point: 141.3 °C; (18)Enthalpy of Vaporization: 56.34 kJ/mol; (19)Boiling Point: 321.7 °C at 760 mmHg; (20)Vapour Pressure: 0.000294 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(Oc1ccc(cc1)C=O)C(=O)OC
(2)InChI: InChI=1/C11H12O4/c1-8(11(13)14-2)15-10-5-3-9(7-12)4-6-10/h3-8H,1-2H3
(3)InChIKey: XMSBEICDSVTRGX-UHFFFAOYAQ