Ethoxyacetylene, 50% hexane solution

CAT: 0127-OR4769-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-OR4769-01Size:1 g

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CAS Number

927-80-0

Synonyms

Ethyl ethynyl ether, Ethoxyethyne

MDL Number

MFCD00009247

Purity

=95%

Smiles

CCOC#C

Storage Conditions

Store at 2-8°C

Chemical Information

Ether, ethyl ethynyl

CAS Number	927-80-0
PubChem CID	61239
IUPAC Name	ethynoxyethane
Molecular Formula	C4H6O
Molecular Weight	70.09
XLogP	1.1
Topological Polar Surface Area	9.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Heavy Atom Count	5
Formal Charge	0
Complexity	47

SMILES

CCOC#C

InChI

InChI=1S/C4H6O/c1-3-5-4-2/h1H,4H2,2H3

InChIKey

WMYNMYVRWWCRPS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 927-80-0

CID: 61239

Formula: C4H6O

MW: 70.09

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	70.09
XLogP3	1.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	70.041864811
Monoisotopic Mass	70.041864811
Topological Polar Surface Area	9.2 Å²
Heavy Atom Count	5
Formal Charge	0
Complexity	47.9
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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