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Ethyl β-cyano-α-oxobenzenepropanoate

Ethyl β-cyano-α-oxobenzenepropanoate structure

CAS No:
6362-63-6
Formula:
C12H11NO3
Chemical Name:
Ethyl β-cyano-α-oxobenzenepropanoate
Synonyms:
Benzenepropanoic acid,β-cyano-α-oxo-,ethyl ester;Pyruvic acid,cyanophenyl-,ethyl ester;Ethyl β-cyano-α-oxobenzenepropanoate;Ethyl 3-cyano-3-phenylpyruvate;Ethyl phenylcyanopyruvate;Ethyl α-cyanophenylpyruvate;Ethyl cyanophenylpyruvate;Ethyl 3-cyano-2-oxo-3-phenylpropionate;NSC 31650;Ethyl 3-cyano-2-oxo-3-phenyl-propanoate

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Ethyl β-cyano-α-oxobenzenepropanoate Basic Attributes

Molecular Weight：

217.22064

Exact Mass：

217.22

EC Number：

228-844-7

NSC Number：

31650

HScode：

2926909090

Characteristics

PSA：

67.16000

XLogP3：

1.42598

Density：

1.186g/cm3

Melting Point：

129-130 °C

Boiling Point：

337.3ºC at 760 mmHg

Flash Point：

147.1ºC

Refractive Index：

1.524

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

RTECS Number：

UZ0875000

Precautionary statement(s)：

P264, P270, P301+P312, P330, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|Aggregated GHS information provided by 4 companies from 1 notifications to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:217.22
XLogP3:1.9
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:217.07389321
Monoisotopic Mass:217.07389321
Topological Polar Surface Area:67.2
Heavy Atom Count:16
Complexity:310
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of Ethyl β-cyano-α-oxobenzenepropanoate

Basic Attributes
Characteristics
Safety Information
Computed Properties
Learn More Other Chemicals

Ethyl β-cyano-α-oxobenzenepropanoate

SDS

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