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Propioin

CAT: 0013-GTR19202321-03Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19202321-03Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Propioin
CAS Number
4984-85-4
Product Name Alternative
Propioin, AI313026, AI-313026, AI3-13026, AI3 13026, AI 313026, 4-Hydroxyhexan-3-one
Purity
96.21% (May vary between batches)
Solubility
DMSO:2 mg/mL (17.22 mM)
Smiles
O=C (CC) C (O) CC
Molecular Formula
C6H12O2
Molecular Weight
116.16
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

4-Hydroxyhexan-3-one

4-hydroxyhexan-3-one is a hexanone that is hexan-3-one substituted by a hydroxy group at position 4. It is a hexanone, a secondary alpha-hydroxy ketone and a secondary alcohol.

CAS Number4984-85-4
PubChem CID95609
IUPAC Name4-hydroxyhexan-3-one
Molecular FormulaC6H12O2
Molecular Weight116.16
XLogP0.7
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count8
Formal Charge0
Complexity78
SMILES
CCC(C(=O)CC)O
InChI
InChI=1S/C6H12O2/c1-3-5(7)6(8)4-2/h5,7H,3-4H2,1-2H3
InChIKey
SKCYVGUCBRYGTE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Hydroxyhexan-3-one
CAS: 4984-85-4
CID: 95609
Formula: C6H12O2
MW: 116.16
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight116.16
XLogP30.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass116.083729621
Monoisotopic Mass116.083729621
Topological Polar Surface Area37.3 Ų
Heavy Atom Count8
Formal Charge0
Complexity78.6
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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