InCHi String:
InChI=1S/C9H8O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-4H,5-6H2
canonical and isomeric SMILES: C1CC(=O)OC2=CC=CC=C21
PUBCHEM iupac NAME: PUBCHEM iupac TRADITIONAL NAME: PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac SYSTEMATIC NAMEchroman-2-one
PUBCHEM iupac CAS NAME2-chromanone
PubChem Substance (SID):
85165204 10505364 4917598PubChem Compound (CID):
660KEGG: Compound ID
C02274CAS Registry IDs: 119-84-6 1341-36-2
PDB Chemical Component n/a
Miscellaneous Databases and IDs:
Sigma-Aldrich D104809_ALDRICH
ChEBI CHEBI:16151 HSDB 4333
BioCyc DIHYDROCOUMARIN
ChemIDplus 000119846
ChemSpider 16345009
EINECS 204-354-9
CCRIS 5803
NMRShiftDB 10009218
EPA DSSTox 474
UM-BBD c0397
Beilstein Handbook Reference 5-17-10-00013
ChemDB 4557212
NCGC NCGC00091491-01
NIST Chemistry WebBook 1662888345
Reference data were obtained primarily from the PubChem database.
Three dimensional molecular rendering uses Jmol.
