Allyl cyanoacetate

Product Information

Molecular Formula:
C6H7NO2
Molecular Weight:
125.13
Description
Applications: Allyl Cyanoacetate is a useful research chemical.
Synonyms
prop-2-enyl 2-cyanoacetate
IUPAC Name
prop-2-enyl 2-cyanoacetate
Canonical SMILES
C=CCOC(=O)CC#N
InChI
InChI=1S/C6H7NO2/c1-2-5-9-6(8)3-4-7/h2H,1,3,5H2
InChI Key
WXKCRCGKCOKJEF-UHFFFAOYSA-N
Boiling Point
110 °C (20 mmHg)
Flash Point
235.4 °CF - closed cup
Purity
95 %
Density
1.065 g/cm3
Appearance
Liquid
Refractive Index
n20/D 1.443 (lit.)
LogP
0.62928

Safety Information

Hazards
H301:
Toxic if swallowed.
H315:
Causes skin irritation.
H319:
Causes serious eye irritation.
Precautionary Statement
P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word
Danger

Computed Properties

XLogP3
0.6
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
4
Exact Mass
125.047678466 g/mol
Monoisotopic Mass
125.047678466 g/mol
Topological Polar Surface Area
50.1Ų
Heavy Atom Count
9
Formal Charge
0
Complexity
154
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes

Patents

Publication Number Title Priority Date
CN-112662115-A Rubber-based damping material and preparation method thereof 2020-12-22
DE-102020124036-A1 Stabilizer system containing sulfide for thiol-ene and thiol-yne compositions 2020-09-15
WO-2022014591-A1 Curable composition and cured body of same 2020-07-17
CN-113801187-A Preparation and application of Michael acceptor type main protease inhibitor targeting novel coronavirus 2020-06-12
CN-111969245-A High-safety solid electrolyte and preparation method and application thereof 2020-04-17
CN-111234505-A Environment-friendly damping rubber plate and preparation method thereof 2020-03-16
WO-2021131961-A1 Fluorine-containing ether compound, lubricant for magnetic recording medium, and magnetic recording medium 2019-12-23
WO-2021116128-A1 Process for preparing cyanoacetates 2019-12-12
WO-2021059160-A1 Process for preparing 5-(fluoro-4-imino-3-methyl)-1-tosyl-3,4 dihydropyrimidine -(1h)-one 2019-09-23
US-2021047257-A1 Process for preparing azelaic acid 2019-08-12
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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