3a,4,7,7a-Tetrahydro-5-methyl-4,7-methanoisobenzofuran-1,3-dione

HCID 520186

Notes Reactions

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Basic information

CAS: 117-40-8
Standard SMILES: CC1=CC2CC1C1C(=O)OC(=O)C21
InChIKey: JIYNFFGKZCOPKN-UHFFFAOYSA-N
Molecular formula: C10H10O3
Average molar mass: 178.18 g/mol
Monoisotopic mass: 178.06299418

Names & identifiers

Preferred name: 3a,4,7,7a-Tetrahydro-5-methyl-4,7-methanoisobenzofuran-1,3-dione
IUPAC: 8-methyl-4-oxatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione

Names & synonyms

117-40-8DTXSID7011713523a,4,7,7a-Tetrahydro-5-methyl-4,7-methanoisobenzofuran-1,3-dioneRefChem:1068867DTXCID5016027575-methyl-5-norbornene-2,3-dicarboxylic anhydride5-methyl-3a,4,7,7a-tetrahydro-4,7-methanoisobenzofuran-1,3-dione8-methyl-4-oxatricyclo[5.2.1.0<2,6>]dec-8-ene-3,5-dionenadicmethyl anhydrideNMA (Salt/Mix)Epicure NMA (Salt/Mix)Kayahard MCD (Salt/Mix)

Show more names

MEA 610 (Salt/Mix)SCHEMBL541891Methylendic anhydride (Salt/Mix)8-methyl-4-oxatricyclo[5.2.1.02,6]dec-8-ene-3,5-dioneMethyl nadic anhydride (Salt/Mix)SBB061129AKOS000121231AKOS024390932

Database identifiers

CAS: 117-40-8
PubChem CID: 520186
DTXSID: DTXSID701171352
Nikkaji: J1.027.608J

Properties

Computed structural properties

XLogP: 0.6
Topological polar surface area: 43.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 13
Formal charge: 0
Complexity: 342

Related reactions

1 records

New reaction record

HRID 1248367As reactantuspto-grants-1985_06

Compound notes

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