chempirical

Methylglyoxime

C3H6N2O2CAS 1804-15-5102.09 g/mol

Open in Covalent MOL file
NHONOH
Oxime

Properties

Molecular formula
C3H6N2O2
Molar mass
102.09 g/mol
Exact mass
102.0429 Da
logP
0.30Crippen estimate
Polar surface area
65.2 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
1
Double bonds
E, EE/Z, in SMILES order

Hazards

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

Identifiers

CAS number
1804-15-5
SMILES
C/C(=N\O)/C=N/O
InChIKey
KFTHGQZJWAXFGG-ZUVMSYQZSA-N
InChI
InChI=1S/C3H6N2O2/c1-3(5-7)2-4-6/h2,6-7H,1H3/b4-2+,5-3+

Weigh it out

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

Work with Methylglyoxime

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

2-Oxopropanal 1-oxime306-44-544 % similar Isonitrosoacetone31915-82-944 % similar Acetone oxime127-06-036 % similar Dimethylglyoxime95-45-436 % similar Acetohydroxamic acid546-88-333 % similar 2,4-Pentanedione oxime2157-56-432 % similar Sodium dimethylglyoximate60908-54-532 % similar Benzoquinone dioxime105-11-330 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Malonamide108-13-4 L-Cycloserine339-72-0 Acetylurea591-07-1 (+)-Cycloserine68-41-7 3-Amino-2-oxazolidinone80-65-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook