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3-Butenoic acid, 4-ethoxy-2-oxo-, ethyl ester

3-Butenoic acid, 4-ethoxy-2-oxo-, ethyl ester structure

CAS No:
76240-19-2
Formula:
C8H12O4
Chemical Name:
3-Butenoic acid, 4-ethoxy-2-oxo-, ethyl ester
Synonyms:
Ethyl 4-ethoxy-2-oxobut-3-enoate;65260-58-4;ethyl (E)-4-ethoxy-2-oxobut-3-enoate;(E)-4-Ethoxy-2-oxo-but-3-enoic acid ethyl ester;(E)-ethyl 4-ethoxy-2-oxobut-3-enoate;Ethyl 4-(ethyloxy)-2-oxobut-3-enoate;SCHEMBL983246;ZINC33945146;DS-5613;2-Oxo-4-ethoxy-3-butenoic acid ethyl ester

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3-Butenoic acid, 4-ethoxy-2-oxo-, ethyl ester Basic Attributes

Molecular Weight：

172.17848

Exact Mass：

172.07400

HScode：

2918990090

Characteristics

PSA：

52.60000

XLogP3：

0.66880

Density：

1.068±0.06 g/cm3(Predicted)

Safety Information

Precautionary statement(s)：

P210, P233, P240, P241, P242, P243, P261, P264, P270, P272, P280, P301+P312, P302+P352, P303+P361+P353, P321, P330, P332+P313, P333+P313, P362, P363, P370+P378, P403+P235, P501

Hazard Statements：

H226

GHS Classification：

|Warning|H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P261, P264, P270, P272, P280, P301+P312, P302+P352, P303+P361+P353, P321, P330, P332+P313, P333+P313, P362, P363, P370+P378, P403+P235, 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.|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:172.18
XLogP3:0.9
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:6
Exact Mass:172.07355886
Monoisotopic Mass:172.07355886
Topological Polar Surface Area:52.6
Heavy Atom Count:12
Complexity:184
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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3-Butenoic acid, 4-ethoxy-2-oxo-, ethyl ester

CAS No.: 76240-19-2

Content: 99.00%

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Guide of 3-Butenoic acid, 4-ethoxy-2-oxo-, ethyl ester

Basic Attributes
Characteristics
Safety Information
Computed Properties
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3-Butenoic acid, 4-ethoxy-2-oxo-, ethyl ester

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