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1,2-Epoxypentane

CAT: 0572-TRC-E592600-2.5MLSize: 2.5 mLDry Ice: NoHazardous: Yes
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CAT#:0572-TRC-E592600-2.5MLSize:2.5 mL
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1003-14-1
Synonyms
2-Propyloxirane; 1-Pentene oxide; NSC 46349; Pentene 1,2-oxide; Propylethylene oxide; Propyloxirane; n-Propyloxirane
Hazard Statement
Highly flammable liquid and vapour; UN number: UN1993; Packing Group: III
Smiles
CCCC1CO1
Molecular Formula
C5H10O
Molecular Weight
86.13
Shipping Conditions
Room Temperature

Chemical Information

Oxirane, 2-propyl-
CAS Number1003-14-1
PubChem CID13853
IUPAC Name2-propyloxirane
Molecular FormulaC5H10O
Molecular Weight86.13
XLogP1.4
Topological Polar Surface Area12.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count6
Formal Charge0
Complexity43
SMILES
CCCC1CO1
InChI
InChI=1S/C5H10O/c1-2-3-5-4-6-5/h5H,2-4H2,1H3
InChIKey
SYURNNNQIFDVCA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Oxirane, 2-propyl-
CAS: 1003-14-1
CID: 13853
Formula: C5H10O
MW: 86.13
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight86.13
XLogP31.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass86.073164938
Monoisotopic Mass86.073164938
Topological Polar Surface Area12.5 Ų
Heavy Atom Count6
Formal Charge0
Complexity43.2
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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