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34961-64-3

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Basic Information
CAS No.: 34961-64-3
Name: 3-(4-FORMYLPHENYL)PROPANOIC ACID
Article Data: 17
Molecular Structure:
Molecular Structure of 34961-64-3 (3-(4-FORMYLPHENYL)PROPANOIC ACID)
Formula: C10H10O3
Molecular Weight: 178.188
Synonyms: 4-Formylbenzenepropanoic acid;3-(4-Formylphenyl)propionicacid;
Density: 1.228 g/cm3
Melting Point: ca 136℃
Boiling Point: 356.916 °C at 760 mmHg
Flash Point: 183.847 °C
Solubility: Slightly soluble in water.
PSA: 54.37000
LogP: 1.51630
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Specification

The Benzenepropanoic acid,4-fluoro-β-methyl-, (βS)- is an organic compound with the formula C10H10O3. The systematic name of this chemical is 3-(4-Formylphenyl)propanoic acid. The CAS registry number of this chemical is 34961-64-3. Besides, its molecular weight is 178.18.

The physical properties of Benzenepropanoic acid,4-fluoro-β-methyl-, (βS)- are: (1)ACD/LogP: 0.28; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 12; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 3; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 4; (9)Polar Surface Area: 54.37 Å2; (10)Index of Refraction: 1.587; (11)Molar Refractivity: 48.752 cm3; (12)Molar Volume: 145.049 cm3; (13)Polarizability: 19.327×10-24 cm3; (14)Surface Tension: 52.536 dyne/cm; (15)Density: 1.228 g/cm3; (16)Flash Point: 183.847 °C; (17)Enthalpy of Vaporization: 63.547 kJ/mol; (18)Boiling Point: 356.916 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: OC(=O)CCc1ccc(cc1)C=O
(2)InChI: InChI=1/C10H10O3/c11-7-9-3-1-8(2-4-9)5-6-10(12)13/h1-4,7H,5-6H2,(H,12,13)
(3)InChIKey: NRCCSDVEUWXOMG-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C10H10O3/c11-7-9-3-1-8(2-4-9)5-6-10(12)13/h1-4,7H,5-6H2,(H,12,13)
(5)Std. InChIKey: NRCCSDVEUWXOMG-UHFFFAOYSA-N