3-Methoxyacrylonitrile, mixture of isomers - CAS 60838-50-8

Catalog:	BB030832
Product Name:	3-Methoxyacrylonitrile, mixture of isomers
CAS:	60838-50-8
Synonyms:	(E)-3-methoxyprop-2-enenitrile

Technical Data

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Computed Properties

IUPAC Name:	(E)-3-methoxyprop-2-enenitrile
Description:	3-Methoxyacrylonitrile, mixture of isomers (CAS# 60838-50-8) is a useful research chemical.
Molecular Weight:	83.09
Molecular Formula:	C4H5NO
Canonical SMILES:	COC=CC#N
InChI:	InChI=1S/C4H5NO/c1-6-4-2-3-5/h2,4H,1H3/b4-2+
InChI Key:	IPCRTSDORDQHRO-DUXPYHPUSA-N
Boiling Point:	189 ℃
Density:	0.99 g/cm³
Appearance:	Colorless to light yellow clear liquid
LogP:	0.67008

Publication Number	Title	Priority Date
WO-2021184790-A1	Cathode and cathode slurry for secondary battery	20200320
WO-2021185183-A1	Cathode and cathode slurry for secondary battery	20200320
CN-112851664-A	Pyrazolo [1,5-a ] pyridine-3-nitrile compound and application thereof in medicine	20191112
WO-2021093720-A1	Pyrazole[1,5-a]pyridine-3-nitrile compound and pharmaceutical use thereof	20191112
CN-112409385-A	Azaaryl compounds and uses thereof	20190822

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Related Functional Groups

Nitrogen Compounds

[55877-31-1]
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[5724-76-5]
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[2241982-86-3]
3-(Phenyl-2-D)propanenitrile-2,2-D2
[5071-96-5]
3-Methoxybenzylamine
[512809-77-7]
5-[(3,5-Dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]furan-2-carbaldehyde
[5334-43-0]
5-Amino-1-phenylpyrazole-4-carbonitrile

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, 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:	Warning

Complexity:	87
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	1
Exact Mass:	83.037113783
Formal Charge:	0
Heavy Atom Count:	6
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	83.037113783
Rotatable Bond Count:	1
Topological Polar Surface Area:	33 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.2