Ethylpropiolate

CAT: 1489-E2070-02Size: 25 mLDry Ice: NoHazardous: No

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CAT#:1489-E2070-02Size:25 mL

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CAS Number

623-47-2

Purity

0.98

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

Loading 3D structure...

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