Undecanoic acid,11-cyano-, methyl ester supplier

Name
Methyl 11-cyanoundecanoate
EINECS
CAS No. 22915-49-7
Article Data12
CAS DataBase
Density 0.939 g/cm³
Solubility
Melting Point
Formula C₁₃H₂₃NO₂
Boiling Point 328.482 °C at 760 mmHg
Molecular Weight 225.331
Flash Point 154.672 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Methyl 11-cyanoundecanoate;22915-49-7;Undecanoic acid,11-cyano-, methyl ester;Methyl=11-cyanoundecanoate;SCHEMBL5978990;DTXSID40450500;Undecanoic acid,11-cyano-,methyl ester;SY296015;FT-0607214
PSA 50.09000
LogP 3.58398

Undecanoic acid,11-cyano-, methyl ester Specification

The Undecanoic acid,11-cyano-, methyl ester, with the CAS registry number of 22915-49-7, is also known as MCU. Its molecular formula is C₁₃H₂₃NO₂ and molecular weight is 225.33. What's more, its systematic name is Methyl 11-cyanoundecanoate.

Physical properties about the Undecanoic acid,11-cyano-, methyl ester are: (1)ACD/LogP: 3.31; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 166; (6)ACD/BCF (pH 7.4): 166; (7)ACD/KOC (pH 5.5): 1354; (8)ACD/KOC (pH 7.4): 1354; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 11; (12)Polar Surface Area: 50.09 Å²; (13)Index of Refraction: 1.446; (14)Molar Refractivity: 63.965 cm³; (15)Molar Volume: 239.988 cm³; (16)Surface Tension: 34.679 dyne/cm; (17)Density: 0.939 g/cm³; (18)Flash Point: 154.672 °C; (19)Enthalpy of Vaporization: 57.088 kJ/mol; (20)Boiling Point: 328.482 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: N#CCCCCCCCCCCC(=O)OC
(2) InChI: InChI=1/C13H23NO2/c1-16-13(15)11-9-7-5-3-2-4-6-8-10-12-14/h2-11H2,1H3
(3) InChIKey: GKXUVTQXTRUSGH-UHFFFAOYAA

Product Name

Methyl 11-cyanoundecanoate

Undecanoic acid,11-cyano-, methyl ester Specification

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