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CHEBI:33216 - bisphenol A

ChEBI IDCHEBI:33216
ChEBI Namebisphenol A
Stars
DefinitionA bisphenol that is 4,4'-methanediyldiphenol in which the methylene hydrogens are replaced by two methyl groups.
Secondary ChEBI IDsCHEBI:22900, CHEBI:31295, CHEBI:47094
Last Modified22 January 2021
SubmitterMarcus Ennis
DownloadsMolfile

FormulaC15H16O2
Net Charge0
Average Mass228.291
Monoisotopic Mass228.11503
SMILESCC(C)(c1ccc(O)cc1)c1ccc(O)cc1
InChIInChI=1S/C15H16O2/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12/h3-10,16-17H,1-2H3
InChIKeyIISBACLAFKSPIT-UHFFFAOYSA-N

Wikipedia
Roles Classification

ChEBI Ontology
IUPAC Name 
4,4'-(propane-2,2-diyl)diphenol
Synonyms  Source
Bisphenol AKEGG COMPOUND
2,2-Bis(4-Hydroxyphenyl)propaneKEGG COMPOUND
2,2-Di(4-hydroxyphenyl)propaneChemIDplus
4,4'-(1-Methylethylidene)bisphenolChemIDplus
4,4'-Bisphenol AChemIDplus
4,4'-IsopropylidenediphenolChemIDplus
UniProt Name  Source
bisphenol AUniProt
Manual XrefsDatabases
c0764UM-BBD
C13624KEGG COMPOUND
2OHPDBeChem
Bisphenol_AWikipedia
DB06973DrugBank
HMDB0032133HMDB
LSM-37080LINCS
Registry NumbersSources
Reaxys:1107700Reaxys
CAS:80-05-7KEGG COMPOUND
CAS:80-05-7ChemIDplus
CAS:80-05-7NIST Chemistry WebBook
Citations