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CHEBI:180650 - 1,2,3,6-tetrahydrophthalic anhydride

ChEBI IDCHEBI:180650
ChEBI Name1,2,3,6-tetrahydrophthalic anhydride
Stars
DefinitionA cyclic dicarboxylic anhydride that is 1,3,3a,4,7,7a-hexahydro-2-benzofuran carrying oxo groups at positions 1 and 3.
Last Modified5 October 2021
SubmitterJohannes Hunold (ORCID: 0000-0002-4378-6061)
DownloadsMolfile
FormulaC8H8O3
Net Charge0
Average Mass152.149
Monoisotopic Mass152.04734
SMILESO=C1OC(=O)C2CC=CCC12
InChIInChI=1S/C8H8O3/c9-7-5-3-1-2-4-6(5)8(10)11-7/h1-2,5-6H,3-4H2
InChIKeyKMOUUZVZFBCRAM-UHFFFAOYSA-N
Wikipedia
ChEBI Ontology
Outgoing Relation(s)
1,2,3,6-tetrahydrophthalic anhydride (CHEBI:180650) is a cyclic dicarboxylic anhydride (CHEBI:36609)
1,2,3,6-tetrahydrophthalic anhydride (CHEBI:180650) is a tetrahydrofurandione (CHEBI:47022)
IUPAC Name 
3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione
Synonyms  Source
TetrahydroftalanhydridSUBMITTER
tetrahydrophthalic acid anhydrideChemIDplus
butadiene-maleic anhydride adductChemIDplus
TetrahydrophthalsaeureanhydridSUBMITTER
tetrahydrophthalic anhydrideChemIDplus
1,2,3,6-tetrahydrophthalic acid anhydrideChemIDplus
Manual XrefsDatabases
6551ChemSpider
Tetrahydrophthalic_anhydrideWikipedia
Registry NumbersSources
Reaxys:82340Reaxys
CAS:85-43-8ChemIDplus
CAS:85-43-8NIST Chemistry WebBook