Basic information
- CAS
2902-64-9- Standard SMILES
COC(=O)c1ccc2c(c1)C(=O)OC2=O- InChIKey
JWKWYRVXHBOBRF-UHFFFAOYSA-N- Molecular formula
- C10H6O5
- Average molar mass
- 206.15 g/mol
- Monoisotopic mass
- 206.02152329
Names & identifiers
- Preferred name
- 5-Isobenzofurancarboxylic acid, 1,3-dihydro-1,3-dioxo-, methyl ester
- IUPAC
- methyl 1,3-dioxo-2-benzofuran-5-carboxylate
- English name
- methyl 1,3-dihydro-1,3-dioxoisobenzofuran-5-carboxylate
- Molecular formula
- C10H6O5
- Molecular weight
- 206.15164
Names & synonyms
2902-64-9Trimellitic anhydride methyl ester5-Isobenzofurancarboxylic acid, 1,3-dihydro-1,3-dioxo-, methyl esterMethyl 1,3-dihydro-1,3-dioxo-5-isobenzofurancarboxylateEINECS 220-796-5DTXSID4062692RefChem:102975DTXCID9037907Methyl 1,3-dihydro-1,3-dioxoisobenzofuran-5-carboxylateMethyl 1,3-dioxo-1,3-dihydroisobenzofuran-5-carboxylatemethyl 1,3-dioxo-2-benzofuran-5-carboxylateSCHEMBL1535306
Show more names
4-(Methoxycarbonyl)phthalic anhydride
SCHEMBL31634622methyl 1,3-dioxo-1,3-dihydro-2-benzofuran-5-carboxylateJWKWYRVXHBOBRF-UHFFFAOYSA-NNS00028601
Database identifiers
- CAS
2902-64-9- PubChem CID
- 76180
- DTXSID
DTXSID4062692- EC Number
- 220-796-5
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 69.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 322
Physicochemical properties
- EPA Substance Registry System
- 5 · 5-Isobenzofurancarboxylic acid, 1,3-dihydro-1,3-dioxo-, methyl ester (2902-64-9)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information5-Isobenzofurancarboxylic acid, 1,3-dihydro-1,3-dioxo-, methyl ester: INACTIVE
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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