CAS No.4136-21-4,2-HYDROXY-1-(4-METHOXYPHENYL)-1-ETHANONE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	4136-21-4
Name:	2-HYDROXY-1-(4-METHOXYPHENYL)-1-ETHANONE
Article Data:	99

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