InCHi String:
InChI=1S/C6H6O3/c1-4-6(8)5(7)2-3-9-4/h2-3,8H,1H3
canonical and isomeric SMILES: CC1=C(C(=O)C=CO1)O
PUBCHEM iupac NAME3-hydroxy-2-methylpyran-4-one
PUBCHEM iupac TRADITIONAL NAME: PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac SYSTEMATIC NAME3-hydroxy-2-methyl-pyran-4-one
PUBCHEM iupac CAS NAME3-hydroxy-2-methyl-4-pyranone
PubChem Substance (SID):
85165319 474650 17388942PubChem Compound (CID):
8369KEGG: Compound ID
C11918CAS Registry IDs: 118-71-8
PDB Chemical Component n/a
Miscellaneous Databases and IDs:
Sigma-Aldrich H43407_ALDRICH
ChemIDplus 000118718
ChemSpider 8066
EINECS 204-271-8
CCRIS 3467
NIAID 009883
DTP/NCI 2829
EPA DSSTox 33620
ZINC ZINC00164488
NIH Clinical Collection SAM001246871
NCGC NCGC00178231-01
ChemDB 4556402
Beilstein Handbook Reference 5-18-01-00114
NIST Chemistry WebBook 2686801915
MMCD cq_08492
MDL MFCD00006578
Reference data were obtained primarily from the PubChem database.
Three dimensional molecular rendering uses Jmol.