bmse000467 Acetaldehyde oxime mixture of syn and anti at BMRB

Acetaldehyde oxime mixture of syn and anti

(1E)-acetaldehyde oxime; Ethanal oxime; (E)-CH3CH=NOH; Acetaldehyde oxime, mixture of syn and anti; Aldoxime; Acetaldehyde oxime [UN2332] [Flammable liquid]; Acetaldehyde oxime; Ethylidenehydroxylamine; ACETALDEHYDE OXIME; Hydroiminoethane; Acetaldehyde, oxime

Molecular Formula: C2 H5 N O
Natural Isotopic Abundance Mass: 59.0672
Mono-Isotopic Molecular Masses: C12N14: 59.0371137878; C13N14: 61.0438234634; C12N15: 60.034148681; C13N15: 62.0408583566

Acetaldehyde oxime mixture of syn and anti

InCHi String:
InChI=1S/C2H5NO/c1-2-3-4/h2,4H,1H3/b3-2+

canonical SMILES:
CC=NO
isomeric SMILES:
C\C=N\O

PUBCHEM iupac NAME: PUBCHEM iupac SYSTEMATIC NAME
(NE)-N-ethylidenehydroxylamine

PUBCHEM iupac TRADITIONAL NAME
acetaldoxime

PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac CAS NAME
acetaldehyde oxime

PubChem Substance (SID):   85165254   8144340   589835
PubChem Compound (CID):   5324279
KEGG: Compound ID   C02658
CAS Registry IDs:   107-29-9
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   Sigma-Aldrich 00150_FLUKA   ChEBI CHEBI:28465   HSDB 2662   ChemIDplus 000107299   ChemSpider 4481813   EINECS 203-479-6   CCRIS 1379   NMRShiftDB 10017039   EPA DSSTox 4   Beilstein Handbook Reference 4-01-00-03121   NIST Chemistry WebBook 3916562792

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.