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Ethyl 3-(1,3-benzodioxol-5-yl)-2-cyano-2-propenoate

Ethyl 3-(1,3-benzodioxol-5-yl)-2-cyano-2-propenoate structure

CAS No:
2286-56-8
Formula:
C13H11NO4
Chemical Name:
Ethyl 3-(1,3-benzodioxol-5-yl)-2-cyano-2-propenoate
Synonyms:
2-Propenoic acid,3-(1,3-benzodioxol-5-yl)-2-cyano-,ethyl ester;Cinnamic acid,α-cyano-3,4-(methylenedioxy)-,ethyl ester;Ethyl 3-(1,3-benzodioxol-5-yl)-2-cyano-2-propenoate;Ethyl 3-(1,3-benzodioxol-5-yl)-2-cyanoacrylate;Ethyl α-cyano-3,4-(methylenedioxy)cinnamate;NSC 59454;Ethyl 2-cyano-3-(3,4-methylenedioxyphenyl)-2-propenoate;756509-78-1

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Ethyl 3-(1,3-benzodioxol-5-yl)-2-cyano-2-propenoate Basic Attributes

Molecular Weight：

245.23

Exact Mass：

245.23

NSC Number：

59454

HScode：

2932999099

Characteristics

PSA：

68.55000

XLogP3：

1.88538

Density：

1.305g/cm3

Melting Point：

106 °C

Boiling Point：

397.1ºC at 760mmHg

Flash Point：

173.7ºC

Refractive Index：

1.594

Safety Information

Hazard category：

IRRITANT

Marks：

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P273, P301+P312, P330, P391, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:245.23
XLogP3:2.4
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:245.06880783
Monoisotopic Mass:245.06880783
Topological Polar Surface Area:68.6
Heavy Atom Count:18
Complexity:395
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of Ethyl 3-(1,3-benzodioxol-5-yl)-2-cyano-2-propenoate

Basic Attributes
Characteristics
Safety Information
Computed Properties
Learn More Other Chemicals

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