bmse000647 metaldehyde at BMRB

metaldehyde

acetic aldehyde; acetylaldehyde; ethaldehyde; Azetaldehyd; Aldehyde; ACT; aldehyde; ethanal; Acetic aldehyde; Acetaldehyde; Metaldehyde

Molecular Formula: C2 H4 O
Natural Isotopic Abundance Mass: 44.05256
Mono-Isotopic Molecular Masses: C12N14: 44.0262147505; C13N14: 46.0329244261; C12N15: 44.0262147505; C13N15: 46.0329244261

metaldehyde

InCHi String:
InChI=1S/C2H4O/c1-2-3/h2H,1H3

canonical and isomeric SMILES:
CC=O

PUBCHEM iupac NAME: PUBCHEM iupac TRADITIONAL NAME: PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac CAS NAME
acetaldehyde

PUBCHEM iupac SYSTEMATIC NAME
ethanal

PubChem Substance (SID):   111677786   85177152   8143150
PubChem Compound (CID):   177
KEGG: Compound ID   C00084
CAS Registry IDs:   75-07-0
PDB Chemical Component   ACU   MCB
Miscellaneous Databases and IDs:   Sigma-Aldrich 36611_RIEDEL   ChEBI CHEBI:15343   EPA DSSTox 30609   BioCyc ACETALD   UM-BBD c0160   ChemSpider 13876142   MMDB 76460.30   NMRShiftDB 10016744   MMCD cq_XXXXX   MDL MFCD00134115

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.