Butadiene diepoxide

CAT: 0063-90035718Size: 5 gDry Ice: NoHazardous: No

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CAT#:0063-90035718Size:5 g

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CAS Number

1464-53-5

Chemical Information

Diepoxybutane

Diepoxybutane can cause cancer according to an independent committee of scientific and health experts.

CAS Number	1464-53-5
PubChem CID	11254
IUPAC Name	2-(oxiran-2-yl)oxirane
Molecular Formula	C4H6O2
Molecular Weight	86.09
XLogP	-0.5
Topological Polar Surface Area	25.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	6
Formal Charge	0
Complexity	61

SMILES

C1C(O1)C2CO2

InChI

InChI=1S/C4H6O2/c1-3(5-1)4-2-6-4/h3-4H,1-2H2

InChIKey

ZFIVKAOQEXOYFY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1464-53-5

CID: 11254

Formula: C4H6O2

MW: 86.09

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	86.09
XLogP3	-0.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	86.036779430
Monoisotopic Mass	86.036779430
Topological Polar Surface Area	25.1 Å²
Heavy Atom Count	6
Formal Charge	0
Complexity	61.9
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
B25750-01	Butadiene diepoxide 98%
B754510	1,3-Butadiene Diepoxide
261586-01	1,3-Butadiene diepoxide discontinued
PBA81540-01	Epitulipinolide diepoxide
TRC-D720515-10MG	Dulcitol Diepoxide
JH242071	Bicyclononadiene diepoxide
sc-278945	Dicyclopentadiene diepoxide
AR-G01992-01	Dulcitol-13C6 Diepoxide
AR-A02788-01	Atorvastatin Lactone Diepoxide
S-600	13-Butadiene