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Epsilon-Caprolactone

CAT: 0926-FC05808-02Size: 1 KgDry Ice: NoHazardous: No
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CAT#:0926-FC05808-02Size:1 Kg
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CAS Number
502-44-3
Synonyms
6-Hexanolactone;2-Oxepanone;6-Caprolactone monomer
MDL Number
MFCD00003267
Smiles
C1CCC (=O) OCC1
Molecular Formula
C6H10O2
Molecular Weight
114.14 g/mol
Controlled
No

Chemical Information

epsilon-CAPROLACTONE

Hexano-6-lactone is a -lactone that is oxepane substituted by an oxo group at position 2.

CAS Number502-44-3
PubChem CID10401
IUPAC Nameoxepan-2-one
Molecular FormulaC6H10O2
Molecular Weight114.14
XLogP0
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count8
Formal Charge0
Complexity88
SMILES
C1CCC(=O)OCC1
InChI
InChI=1S/C6H10O2/c7-6-4-2-1-3-5-8-6/h1-5H2
InChIKey
PAPBSGBWRJIAAV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of epsilon-CAPROLACTONE
CAS: 502-44-3
CID: 10401
Formula: C6H10O2
MW: 114.14
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight114.14
XLogP30
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass114.068079557
Monoisotopic Mass114.068079557
Topological Polar Surface Area26.3 Ų
Heavy Atom Count8
Formal Charge0
Complexity88.5
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
TRC-C175695-50GEpsilon-Caprolactone
469863-01ε-​Caprolactone
07103-05ε-Caprolactone
M21388-01Γ-caprolactone
JH228344γ-methyl-ε-caprolactone
HY-W015891S-01ε-Caprolactone-d6
MBS3611373-01gamma-caprolactone
sc-229693γ-Phenyl-ε-caprolactone
HY-W015891Rε-Caprolactone (Standard)
POL-DG023Poly (ε-caprolactone)

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