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1-hydroxypentan-2-one

CAT: 0572-TRC-H100560-50MGSize: 50 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-H100560-50MGSize:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
64502-89-2
Hazard Statement
Flammable liquid and vapour; UN number: UN1993; Packing Group: III
Smiles
CCCC(=O)CO
Molecular Formula
C5H10O2
Molecular Weight
102.13
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

1-Hydroxy-2-pentanone

1-Hydroxy-2-pentanone is a 2-oxo aldehyde.

CAS Number64502-89-2
PubChem CID522131
IUPAC Name1-hydroxypentan-2-one
Molecular FormulaC5H10O2
Molecular Weight102.13
XLogP0.1
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count7
Formal Charge0
Complexity59
SMILES
CCCC(=O)CO
InChI
InChI=1S/C5H10O2/c1-2-3-5(7)4-6/h6H,2-4H2,1H3
InChIKey
WOVLKKLXYZJMSN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-Hydroxy-2-pentanone
CAS: 64502-89-2
CID: 522131
Formula: C5H10O2
MW: 102.13
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight102.13
XLogP30.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass102.068079557
Monoisotopic Mass102.068079557
Topological Polar Surface Area37.3 Ų
Heavy Atom Count7
Formal Charge0
Complexity59.1
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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