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2-Hydroxyimino-3-pentanone

CAT: 0572-TRC-H827990-500MGSize: 500 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-H827990-500MGSize:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
32818-79-4
Synonyms
2,3-Pentanedione, 2-oxime; 2-Hydroxyimino-3-pentanone; 2-Isonitroso-3-pentanone; 2-Oximinopentan-3-one
Hazard Statement
Harmful if swallowed.
Smiles
CCC(=O)C(=NO)C
Molecular Formula
C5 H9 N O2
Molecular Weight
115.13
InChI
InChI=1S/C5H9NO2/c1-3-5(7)4(2)6-8/h8H,3H2,1-2H3
Additionnal Information
IUPAC name: 2-hydroxyiminopentan-3-one
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

2,3-Pentanedione, 2-oxime
CAS Number32818-79-4
PubChem CID6797453
IUPAC Name2-hydroxyiminopentan-3-one
Molecular FormulaC5H9NO2
Molecular Weight115.13
XLogP0.9
Topological Polar Surface Area49.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count8
Formal Charge0
Complexity118
SMILES
CCC(=O)C(=NO)C
InChI
InChI=1S/C5H9NO2/c1-3-5(7)4(2)6-8/h8H,3H2,1-2H3
InChIKey
ZVJBPHMCBRHVEV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,3-Pentanedione, 2-oxime
CAS: 32818-79-4
CID: 6797453
Formula: C5H9NO2
MW: 115.13
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight115.13
XLogP30.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass115.063328530
Monoisotopic Mass115.063328530
Topological Polar Surface Area49.7 Ų
Heavy Atom Count8
Formal Charge0
Complexity118
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count1
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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