Basic information
- Standard SMILES
O=C(O)c1ccc(N2C(=O)C3C4C=CC(C4)C3C2=O)cc1- InChIKey
NIGPPPVPMJYXFY-UHFFFAOYSA-N- Molecular formula
- C16H13NO4
- Average molar mass
- 283.28 g/mol
- Monoisotopic mass
- 283.0844579
Names & identifiers
- Preferred name
- 4-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)benzoic acid
- IUPAC
- 4-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)benzoic acid
Names & synonyms
55099-10-04-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)benzoic acid4-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)benzoic acid4-(1,3-dioxo-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindol-2(3H)-yl)benzoic acid4-(3,5-Dioxo-4-azatricyclo[5.2.1.0(2,6)]dec-8-en-4-yl)benzoic acid4-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)benzoic acidMFCD00415604Oprea1_140482Oprea1_457785CBDivE_005494IFLab1_003203SCHEMBL3201443
Show more names
HMS1421B13ALBB-004770BBL000190SBB047498STK274554AKOS000613857AKOS0160371614-{3,5-DIOXO-4-AZATRICYCLO[5.2.1.0(2),?]DEC-8-EN-4-YL}BENZOIC ACID
Database identifiers
- PubChem CID
- 548692
- Nikkaji
- J1.904.242A
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 74.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 516
Related reactions
2 records
Linked notes
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