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3-[4-(Benzyloxy)phenyl]propionic acid

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Name

3-[4-(Benzyloxy)phenyl]propionic acid

EINECS N/A
CAS No. 50463-48-4 Density 1.175 g/cm3
PSA 46.53000 LogP 3.28280
Solubility N/A Melting Point 116-118℃
Formula C16H16O3 Boiling Point 429.3 °C at 760 mmHg
Molecular Weight 256.301 Flash Point 159.4 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 50463-48-4 (3-[4-(Benzyloxy)phenyl]propionic acid) Hazard Symbols N/A
Synonyms

3-[4-(benzyloxy)phenyl]propanoic acid (IM OCS);3-[4-(benzyloxy)phenyl]propanoic acid;

Article Data 34

3-[4-(Benzyloxy)phenyl]propionic acid Specification

The CAS register number of 3-[4-(Benzyloxy)phenyl]propionic acid is 50463-48-4. The molecular formula about this chemical is C16H16O3 and the molecular weight is 256.2964.

Physical properties about 3-[4-(Benzyloxy)phenyl]propionic acid are: (1)ACD/LogP: 3.41; (2)ACD/LogD (pH 5.5): 2.56; (3)ACD/LogD (pH 7.4): 0.76; (4)ACD/BCF (pH 5.5): 32.29; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 239.61; (7)ACD/KOC (pH 7.4): 3.8; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 6; (11)Polar Surface Area: 35.53 Å2; (12)Index of Refraction: 1.585; (13)Molar Refractivity: 73.16 cm3; (14)Molar Volume: 218 cm3; (15)Polarizability: 29x10-24cm3; (16)Surface Tension: 48 dyne/cm; (17)Density: 1.175 g/cm3; (18)Flash Point: 159.4 °C; (19)Enthalpy of Vaporization: 72.17 kJ/mol; (20)Boiling Point: 429.3 °C at 760 mmHg; (21)Vapour Pressure: 3.91E-08 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)CCc2ccc(OCc1ccccc1)cc2
(2)InChI: InChI=1/C16H16O3/c17-16(18)11-8-13-6-9-15(10-7-13)19-12-14-4-2-1-3-5-14/h1-7,9-10H,8,11-12H2,(H,17,18)
(3)InChIKey: QTSAUVQZNADEKS-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C16H16O3/c17-16(18)11-8-13-6-9-15(10-7-13)19-12-14-4-2-1-3-5-14/h1-7,9-10H,8,11-12H2,(H,17,18)
(5)Std. InChIKey: QTSAUVQZNADEKS-UHFFFAOYSA-N

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