2-Hydroxyimino-3-pentanone

CAT: 0024-sc-391369Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-391369Size:100 mg

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CAS Number

32818-79-4

Chemical Information

2,3-Pentanedione, 2-oxime

CAS Number	32818-79-4
PubChem CID	6797453
IUPAC Name	2-hydroxyiminopentan-3-one
Molecular Formula	C5H9NO2
Molecular Weight	115.13
XLogP	0.9
Topological Polar Surface Area	49.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	8
Formal Charge	0
Complexity	118

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

CAS: 32818-79-4

CID: 6797453

Formula: C5H9NO2

MW: 115.13

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	115.13
XLogP3	0.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	115.063328530
Monoisotopic Mass	115.063328530
Topological Polar Surface Area	49.7 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	118
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	1
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes