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| CAS No.: | 4136-21-4 |
|---|---|
| Name: | 2-HYDROXY-1-(4-METHOXYPHENYL)-1-ETHANONE |
| Molecular Structure: | |
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| Formula: | C9H10O3 |
| Molecular Weight: | 166.177 |
| Synonyms: | Acetophenone,2-hydroxy-4'-methoxy- (7CI,8CI);1-p-Anisyl-2-hydroxyethanone;2-Hydroxy-1-(4-methoxyphenyl)ethanone;2-Hydroxy-4'-methoxyacetophenone;NSC67341;a-Hydroxy-4-methoxyacetophenone; |
| EINECS: | 223-955-7 |
| Density: | 1.166 g/cm3 |
| Melting Point: | 100-103 °C |
| Boiling Point: | 316.6 °C at 760 mmHg |
| Flash Point: | 129.4 °C |
| PSA: | 46.53000 |
| LogP: | 0.87020 |
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Specification
The Ethanone, 2-hydroxy-1-(4-methoxyphenyl)-, with the CAS registry number 4136-21-4, is also known as 1-p-Anisyl-2-hydroxyethanone. And its EINECS registry number is 223-955-7. This chemical's molecular formula is C9H10O3 and molecular weight is 166.17. What's more, its IUPAC name is 2-Hydroxy-1-(4-methoxyphenyl)ethanone.
Physical properties about Ethanone, 2-hydroxy-1-(4-methoxyphenyl)- are: (1)ACD/LogP: 0.51; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.51; (4)ACD/LogD (pH 7.4): 0.51; (5)ACD/BCF (pH 5.5): 1.45; (6)ACD/BCF (pH 7.4): 1.45; (7)ACD/KOC (pH 5.5): 45.3; (8)ACD/KOC (pH 7.4): 45.3; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 35.53 Å2; (13)Index of Refraction: 1.537; (14)Molar Refractivity: 44.49 cm3; (15)Molar Volume: 142.4 cm3; (16)Polarizability: 17.63×10-24 cm3; (17)Surface Tension: 43.4 dyne/cm; (18)Density: 1.166 g/cm3; (19)Flash Point: 129.4 °C; (20)Enthalpy of Vaporization: 58.9 kJ/mol; (21)Boiling Point: 316.6 °C at 760 mmHg; (22)Vapour Pressure: 0.000171 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(c1ccc(OC)cc1)CO
(2) InChI: InChI=1/C9H10O3/c1-12-8-4-2-7(3-5-8)9(11)6-10/h2-5,10H,6H2,1H3
(3) InChIKey: YTOKFOPFITZGDM-UHFFFAOYAG