Ethyl Propargylate

CAT: 0572-TRC-E818060-5GSize: 5 gDry Ice: NoHazardous: Yes

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CAT#:0572-TRC-E818060-5GSize:5 g

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CAS Number

623-47-2

Synonyms

(Ethoxycarbonyl)acetylene; Carboethoxyacetylene; Ethyl 2-Propynoate; Ethyl Acetylenecarboxylate; Ethyl Acetylenemonocarboxylate; Ethyl Propiolate; Ethyl Propynoate; NSC 60551; Propynoic Acid Ethyl Ester

Hazard Statement

Flammable liquid and vapour; UN number: UN3272; Packing Group: III

Smiles

CCOC(=O)C#C

Molecular Formula

C5H6O2

Molecular Weight

98.1

Shipping Conditions

Room Temperature

Storage Conditions

+4°C

Chemical Information

Ethyl propiolate

Ethyl propiolate is the ethyl ester of prop-2-ynoic acid. It is an ethyl ester, a ynoate ester and a terminal acetylenic compound.

CAS Number	623-47-2
PubChem CID	12182
IUPAC Name	ethyl prop-2-ynoate
Molecular Formula	C5H6O2
Molecular Weight	98.10
XLogP	1
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	7
Formal Charge	0
Complexity	106

SMILES

CCOC(=O)C#C

InChI

InChI=1S/C5H6O2/c1-3-5(6)7-4-2/h1H,4H2,2H3

InChIKey

FMVJYQGSRWVMQV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 623-47-2

CID: 12182

Formula: C5H6O2

MW: 98.10

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	98.10
XLogP3	1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	98.036779430
Monoisotopic Mass	98.036779430
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	106
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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164125-01	Ethyl Propargylate
sc-496792	Ethyl Propargylate-13C3
OR1003496-01	Ethyl ((2-[ethyl (methyl) aminio]ethyl) ) amine
449671-01	Ethyl Laurate (Ethyl Dodecanoate)
105440 25	Ethyl Chloroformate (Ethyl Chlorocarbonate)
RG-A261999-01	Ethyl Ethyl-D-Prolinate
OR1057866-01	Ethyl ethyl (methyl) carbamate
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MBS6052231-01	Ethyl Thiooxamate (Ethyl Aminothioxoacetate)
OR1078610-01	Ethyl Phthalyl Ethyl glycolate

Ethyl Propargylate

Chemical Information

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