Propanoic acid, 2-cyano-2-methyl-, ethyl ester
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Propanoic acid, 2-cyano-2-methyl-, ethyl ester
structure -
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CAS No:
1572-98-1
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Formula:
C7H11NO2
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Chemical Name:
Propanoic acid, 2-cyano-2-methyl-, ethyl ester
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Synonyms:
Propanoic acid,2-cyano-2-methyl-,ethyl ester;Propionic acid,2-cyano-2-methyl-,ethyl ester;Ethyl 2-cyano-2-methylpropionate;2-Cyano-2-(ethoxycarbonyl)propane;Ethyl 2-cyano-2-methylpropanoate;Ethyl 2-cyanoisobutyrate;2,2-Dimethyl-2-cyanoacetic acid ethyl ester;NSC 402029;Cyanodimethylacetic acid ethyl ester;Ethyl 2-cyano-2,2-dimethylacetate;2-Cyano-2-methylpropionic acid ethyl ester
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CAS No:
Characteristics
50.09000
0.76
0.971 g/cm3 @ Temp: 26 °C
185 °C
79.0±5.2 °C
1.426
soluble in ether. Not miscible or difficult to mix with water.
Safety Information
IRRITANT
3276
23/24/25-41-22
26-36/37/39-39
P264, P270, P280, P301+P312, P305+P351+P338, P310, P330, P501
H302
|Danger|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P280, P301+P312, P305+P351+P338, P310, P330, and P501|Aggregated GHS information provided by 43 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:141.17
XLogP3:1.3
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:141.078978594
Monoisotopic Mass:141.078978594
Topological Polar Surface Area:50.1
Heavy Atom Count:10
Complexity:175
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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