Cis-2,3-Epoxybutane

CAT: 0024-sc-268728Size: 1 gDry Ice: NoHazardous: No

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CAT#:0024-sc-268728Size:1 g

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CAS Number

1758-33-4

Chemical Information

cis-2,3-Epoxybutane

CAS Number	1758-33-4
PubChem CID	92162
IUPAC Name	(2S,3R)-2,3-dimethyloxirane
Molecular Formula	C4H8O
Molecular Weight	72.11
XLogP	0.7
Topological Polar Surface Area	12.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Heavy Atom Count	5
Formal Charge	0
Complexity	36

SMILES

C[C@@H]1[C@@H](O1)C

InChI

InChI=1S/C4H8O/c1-3-4(2)5-3/h3-4H,1-2H3/t3-,4+

InChIKey

PQXKWPLDPFFDJP-ZXZARUISSA-N

Chemical Structure

2D Structure

CAS: 1758-33-4

CID: 92162

Formula: C4H8O

MW: 72.11

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	72.11
XLogP3	0.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	72.057514874
Monoisotopic Mass	72.057514874
Topological Polar Surface Area	12.5 Å²
Heavy Atom Count	5
Formal Charge	0
Complexity	36.9
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-266848	3,3-Dimethyl-1,2-epoxybutane
sc-236572	(R) - (+) -1,2-Epoxybutane
sc-236716	(S) - (-) -1,2-Epoxybutane
sc-486564	2- (Chloromethyl) -1,2-epoxybutane
sc-303904	1,1,1-Trifluoro-2,3-epoxybutane
sc-303904A	1,1,1-Trifluoro-2,3-epoxybutane
sc-216813	4-Chlorophenyl-1,2-epoxybutane-d5
sc-236818	(S) -4-Chloro-1,2-epoxybutane
sc-475620	1-cis-2-cis-3-Trimethylcyclopentane
sc-475620A	1-cis-2-cis-3-Trimethylcyclopentane