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Ethyl 3-(4-cyanophenyl)-3-oxopropanoate

Ethyl 3-(4-cyanophenyl)-3-oxopropanoate structure

CAS No:
49744-93-6
Formula:
C12H11NO3
Chemical Name:
Ethyl 3-(4-cyanophenyl)-3-oxopropanoate
Synonyms:
Ethyl 3-(4-Cyanophenyl)-3-oxopropionate; ethyl 3-(4-cyanophenyl)-3-oxopropanoate; 3-(4-Cyanophenyl)-3-oxopropionic Acid Ethyl Ester;
Categories:
Chemical Reagents > Organic Reagents

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Ethyl 3-(4-cyanophenyl)-3-oxopropanoate Basic Attributes

Molecular Weight：

217.22100

Exact Mass：

217.07389321

DSSTox ID：

DTXSID30374100

HScode：

2926909090

Characteristics

PSA：

67.16000

XLogP3：

1.69418

Density：

1.19g/cm3

Boiling Point：

358.1ºC at 760 mmHg

Flash Point：

156.5ºC

Refractive Index：

1.53

Safety Information

GHS Classification：

|Warning|H302+H312+H332 (50%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]|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|Aggregated GHS information provided by 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:217.22
XLogP3:1.6
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:308
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Ethyl 3-(4-cyanophenyl)-3-oxopropanoate

CAS No.: 49744-93-6

Content: 99.00%

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49744-93-6 ethyl 3-(4-cyanophenyl)-3-oxopropanoate

CAS No.: 49744-93-6

Grade: Industrial Grade

Content: 95%

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Guide of Ethyl 3-(4-cyanophenyl)-3-oxopropanoate

Basic Attributes
Characteristics
Safety Information
Computed Properties
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