Basic Information | Post buying leads | Suppliers | Cas Database |
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 | Hazard Symbols | N/A | |
Synonyms |
3-[4-(benzyloxy)phenyl]propanoic acid (IM OCS);3-[4-(benzyloxy)phenyl]propanoic acid; |
Article Data | 34 |
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