Pinacolone oxime

C6H13NOCAS 2475-93-6115.18 g/mol

Open in Covalent MOL file
NHO
Oxime

Properties

Molecular formula
C6H13NO
Molar mass
115.18 g/mol
Exact mass
115.0997 Da
logP
1.88Crippen estimate
Polar surface area
32.6 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
0
Double bonds
EE/Z, in SMILES order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
2475-93-6
SMILES
C/C(=N\O)/C(C)(C)C
InChIKey
UNSDDJQNHCSVSW-FNORWQNLSA-N
InChI
InChI=1S/C6H13NO/c1-5(7-8)6(2,3)4/h8H,1-4H3/b7-5+

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with Pinacolone oxime

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Acetone oxime127-06-038 % similar Dimethylglyoxime95-45-438 % similar Acetohydroxamic acid546-88-335 % similar 2,4-Pentanedione oxime2157-56-433 % similar tert-Butyl N-hydroxycarbamate36016-38-332 % similar N,2,2-Trimethylpropanamide6830-83-731 % similar Methylethyl ketone oxime96-29-731 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Ethylmorpholine100-74-3 [1-Aminocyclopentyl]methanol10316-79-7 4-Hydroxy-1-methylpiperidine106-52-5 4-Aminomethyltetrahydropyran130290-79-8 1-Propylazetidin-3-ol1340301-52-1 2,6-Dimethylmorpholine141-91-3 (3S)-Piperidin-3-ylmethanol144539-77-5 2,6-Dimethylmorpholine, (2R,6R)-171753-74-5

Elsewhere

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