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887352-07-0

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Basic Information
CAS No.: 887352-07-0
Name: 2-(4-Acetoxy-2-methoxyphenoxy)-acetonitrile
Molecular Structure:
Molecular Structure of 887352-07-0 (2-(4-Acetoxy-2-methoxyphenoxy)-acetonitrile)
Formula: C11H11NO4
Molecular Weight: 221.21
Synonyms: 4-(Cyanomethoxy)-3-methoxyphenyl acetate;
Density: 1.196 g/cm3
Melting Point: 69-71 °C
Boiling Point: 362.4 °C at 760 mmHg
Flash Point: 158.4 °C
Appearance: White needles
PSA: 68.55000
LogP: 1.52288
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Specification

The chemical with CAS registry number of 887352-07-0 is known as 2-(4-Acetoxy-2-methoxyphenoxy)-acetonitrile. The systematic name is 4-(Cyanomethoxy)-3-methoxyphenyl acetate. It belongs to product categories of Aromatics Compounds; Aromatics. In addition, the formula is C11H11NO4 and the molecular weight is 221.21.

Physical properties about 2-(4-Acetoxy-2-methoxyphenoxy)-acetonitrile are: (1)ACD/LogP: 1.10; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.1; (4)ACD/LogD (pH 7.4): 1.1; (5)ACD/BCF (pH 5.5): 4.04; (6)ACD/BCF (pH 7.4): 4.04; (7)ACD/KOC (pH 5.5): 94.5; (8)ACD/KOC (pH 7.4): 94.5; (9)#H bond acceptors: 5; (10)#Freely Rotating Bonds: 5; (11)Index of Refraction: 1.511; (12)Molar Refractivity: 55.49 cm3; (13)Molar Volume: 184.9 cm3; (14)Surface Tension: 41.7 dyne/cm; (15)Density: 1.196 g/cm3; (16)Flash Point: 158.4 °C; (17)Enthalpy of Vaporization: 60.84 kJ/mol; (18)Boiling Point: 362.4 °C at 760 mmHg; (19)Vapour Pressure: 1.94E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
1. SMILES:O=C(Oc1cc(OC)c(OCC#N)cc1)C
2. InChI:InChI=1/C11H11NO4/c1-8(13)16-9-3-4-10(15-6-5-12)11(7-9)14-2/h3-4,7H,6H2,1-2H3
3. InChIKey:QWBMWQDSJOKPEV-UHFFFAOYAU
4. Std. InChI:InChI=1S/C11H11NO4/c1-8(13)16-9-3-4-10(15-6-5-12)11(7-9)14-2/h3-4,7H,6H2,1-2H3
5. Std. InChIKey:QWBMWQDSJOKPEV-UHFFFAOYSA-N