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(R/S)-delta-Hexalactone

CAT: 0572-TRC-H294195-100GSize: 100 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-H294195-100GSize:100 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
823-22-3
Hazard Statement
No Data Available
Purity
>95% (GC)
Smiles
CC1CCCC(=O)O1
Molecular Formula
C6 H10 O2
Molecular Weight
114.14
InChI
InChI=1S/C6H10O2/c1-5-3-2-4-6(7)8-5/h5H,2-4H2,1H3
Additionnal Information
IUPAC name: 6-methyloxan-2-one
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

delta-Hexalactone

Delta-Hexanolactone is a delta-lactone.

CAS Number823-22-3
PubChem CID13204
IUPAC Name6-methyloxan-2-one
Molecular FormulaC6H10O2
Molecular Weight114.14
XLogP1
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count8
Formal Charge0
Complexity98
SMILES
CC1CCCC(=O)O1
InChI
InChI=1S/C6H10O2/c1-5-3-2-4-6(7)8-5/h5H,2-4H2,1H3
InChIKey
RZTOWFMDBDPERY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of delta-Hexalactone
CAS: 823-22-3
CID: 13204
Formula: C6H10O2
MW: 114.14
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight114.14
XLogP31
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
Complexity98.7
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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