chempirical

Hydroxyurethane

C3H7NO3CAS 589-41-3105.09 g/mol

Open in Covalent MOL file
OONHOH
Oxime

Properties

Molecular formula
C3H7NO3
Molar mass
105.09 g/mol
Exact mass
105.0426 Da
Boiling point
113–116 °C (at 3 Torr)
logP
0.33Crippen estimate
Polar surface area
62.0 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
1

Identifiers

CAS number
589-41-3
SMILES
CCOC(O)=NO
InChIKey
VGEWEGHHYWGXGG-UHFFFAOYSA-N
InChI
InChI=1S/C3H7NO3/c1-2-7-3(5)4-6/h6H,2H2,1H3,(H,4,5)

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

Names and synonyms

9 names
  • Carbamic acid, N-hydroxy-, ethyl ester
  • Carbamic acid, hydroxy-, ethyl ester
  • NSC-71045
  • NSC-83629
  • Hydroxycarbamic acid ethyl ester
  • N-Hydroxyurethane
  • SQ 16819
  • Ethyl N-hydroxycarbamate
  • N-Carbethoxyhydroxylamine

Work with Hydroxyurethane

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

1,2-Diethyl 1,2-hydrazinedicarboxylate4114-28-765 % similar Ethyl N-methylcarbamate105-40-860 % similar Ethyl N-hydroxyethanimidate10576-12-254 % similar Ethyl N-(aminocarbonyl)carbamate626-36-852 % similar Ethyl N-phenylcarbamate101-99-550 % similar Ethyl 2-oximinooxamate10489-74-444 % similar Ethyl 2-chloro-2-(hydroxyimino)acetate14337-43-044 % similar Benzyl N-hydroxycarbamate3426-71-944 % similar

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

Same formula

Isopropyl nitrate1712-64-7 Dl-serine302-84-1 D-Serine312-84-5 Serine56-45-1 Isoserine565-71-9 Propyl nitrate627-13-4 L-Isoserine632-13-3

Elsewhere

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