Basic information
- CAS
6624-09-5- Standard SMILES
O=C(O)c1ccc(N2C(=O)C3C4CCC(O4)C3C2=O)cc1- InChIKey
MRGAEXCMDNFHJM-UHFFFAOYSA-N- Molecular formula
- C15H13NO5
- Average molar mass
- 287.27 g/mol
- Monoisotopic mass
- 287.07937252
Names & identifiers
- Preferred name
- 4-(1,3-dioxooctahydro-2H-4,7-epoxyisoindol-2-yl)benzoic acid
- IUPAC
- 4-(1,3-dioxo-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-2-yl)benzoic acid
Names & synonyms
6624-09-54-(1,3-dioxooctahydro-2H-4,7-epoxyisoindol-2-yl)benzoic acid4-(1,3-dioxohexahydro-1H-4,7-epoxyisoindol-2(3H)-yl)benzoic acidNSC55224NCIOpen2_002026DTXSID50984745Benzoicacid, 4-(octahydro-1,3-dioxo-4,7-epoxy-2H-isoindol-2-yl)-NSC-55224STK290897AKOS003364016AKOS022076619DS-001253
Show more names
4-(3,5-dioxo-10-oxa-4-azatricyclo[5.2.1.0~2,6~]dec-4-yl)benzoic acid4-(1,3-dioxo-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-2-yl)benzoic acid
Database identifiers
- CAS
6624-09-5- PubChem CID
- 244355
- DTXSID
DTXSID50984745- Nikkaji
- J2.183.242A
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 83.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 482
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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