Methyl 2-Cyano-2-methylpropanoate - CAS 72291-30-6

Catalog:	BB034591
Product Name:	Methyl 2-Cyano-2-methylpropanoate
CAS:	72291-30-6
Synonyms:	2-cyano-2-methylpropanoic acid methyl ester; methyl 2-cyano-2-methylpropanoate

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Computed Properties

IUPAC Name:	methyl 2-cyano-2-methylpropanoate
Description:	Methyl 2-Cyano-2-methylpropanoate (CAS# 72291-30-6) is a useful research chemical.
Molecular Weight:	127.14
Molecular Formula:	C6H9NO2
Canonical SMILES:	CC(C)(C#N)C(=O)OC
InChI:	InChI=1S/C6H9NO2/c1-6(2,4-7)5(8)9-3/h1-3H3
InChI Key:	TZPHOIMASXVLQZ-UHFFFAOYSA-N
Boiling Point:	186.485 °C at 760 mmHg
Density:	1.021 g/cm³
MDL:	MFCD03428328
LogP:	0.70918

Publication Number	Title	Priority Date
CN-113017195-A	Tear-resistant heel nail and preparation process thereof	20210413
US-2015137408-A1	Method for producing rubber molding	20120427
AU-2013229922-A1	4 -hydroxy- isoquinoline compounds as HIF hydroxylase inhibitors	20120309
AU-2013229922-B2	4 -hydroxy- isoquinoline compounds as HIF hydroxylase inhibitors	20120309
CA-2866556-A1	4 -hydroxy-isoquinoline compounds as hif hydroxylase inhibitors	20120309

PMID	Publication Date	Title	Journal
22606182	20120401	2-Cyano-2-methyl-propanamide	Acta crystallographica. Section E, Structure reports online

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[87-88-7]
Chloranilic acid
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[956439-56-8]
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid
[70912-52-6]
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-

GHS Hazard Statement:	H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement:	P264, P280, P305+P351+P338, and P337+P313
Signal Word:	Warning

Complexity:	163
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	127.063328530
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	127.063328530
Rotatable Bond Count:	2
Topological Polar Surface Area:	50.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.9