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CAS No.: | 62600-73-1 |
---|---|
Name: | (R)-(4-Methoxyphenyl)oxirane |
Article Data: | 8 |
Molecular Structure: | |
Formula: | C9H10O2 |
Molecular Weight: | 150.177 |
Synonyms: | Oxirane,(4-methoxyphenyl)-, (2R)- (9CI);Oxirane, (4-methoxyphenyl)-, (R)-; |
Density: | 1.133g/cm3 |
Boiling Point: | 244.7 °C at 760 mmHg |
Flash Point: | 101.2 °C |
PSA: | 21.76000 |
LogP: | 1.76650 |
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The (R)-(4-Methoxyphenyl)oxirane, with cas registry number 62600-73-1, has the systematic name of oxirane, 2-(4-methoxyphenyl)-, (2R)-. And it is also called oxirane, 2-(4-methoxyphenyl)-, (2R)-.
Physical properties about this chemical are: (1)ACD/LogP: 1.53; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.53; (4)ACD/LogD (pH 7.4): 1.53; (5)ACD/BCF (pH 5.5): 8.5; (6)ACD/BCF (pH 7.4): 8.5; (7)ACD/KOC (pH 5.5): 160.99; (8)ACD/KOC (pH 7.4): 160.99; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 21.76 Å2; (13)Index of Refraction: 1.546; (14)Molar Refractivity: 41.95 cm3; (15)Molar Volume: 132.4 cm3; (16)Polarizability: 16.63×10-24cm3; (17)Surface Tension: 40.7 dyne/cm; (18)Enthalpy of Vaporization: 46.22 kJ/mol; (19)Vapour Pressure: 0.0468 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: COc1ccc(cc1)[C@@H]2CO2
(2)InChI: InChI=1/C9H10O2/c1-10-8-4-2-7(3-5-8)9-6-11-9/h2-5,9H,6H2,1H3/t9-/m0/s1
(3)InChIKey: ARHIWOBUUAPVTB-VIFPVBQEBY
(4)Std. InChI: InChI=1S/C9H10O2/c1-10-8-4-2-7(3-5-8)9-6-11-9/h2-5,9H,6H2,1H3/t9-/m0/s1
(5)Std. InChIKey: ARHIWOBUUAPVTB-VIFPVBQESA-N