Basic information
- CAS
354158-53-5- Standard SMILES
O=C(O)c1ccc(N2C(=O)C3C4CCC(C4)C3C2=O)cc1- InChIKey
OYRRYCDONHLKGG-UHFFFAOYSA-N- Molecular formula
- C16H15NO4
- Average molar mass
- 285.29 g/mol
Names & identifiers
- Preferred name
- 4-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)benzoic acid
- IUPAC
- 4-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)benzoic acid
- English name
- 4-(3,5-Dioxo-4-aza-tricyclo[5.2.1.0(2,6)]dec-4-yl) benzoic acid
- Molecular formula
- C16H15NO4
- Molecular weight
- 285.29
Names & synonyms
354158-53-54-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)benzoic acidMFCD034251414-(1,3-Dioxohexahydro-1H-4,7-methanoisoindol-2(3H)-yl)benzoic acid4-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)benzoic acid4-{3,5-dioxo-4-azatricyclo[5.2.1.0(2),?]decan-4-yl}benzoic acidbenzoic acid, 4-(octahydro-1,3-dioxo-4,7-methano-2H-isoindol-2-yl)-AK-918/11940226SCHEMBL31873124-(3,5-dioxo-4-aza-tricyclo[ALBB-017678STK268622
Show more names
4-(3,5-Dioxo-4-aza-tricyclo[5.2.1.0(2,6)]dec-4-yl) benzoic acid
AKOS001678039AKOS017259364LS-05826EU-0045051ST50854042H32339SR-01000082579SR-01000082579-1
Database identifiers
- CAS
354158-53-5
Properties
Computed structural properties
- XLogP
- 2
- 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
- 480
Physicochemical properties
- Boiling point
- 593.5 · 593.5±33.0 °C(Predicted)
- Density
- 1.424 · 1.424±0.06 g/cm3(Predicted)
- pka
- 4.33 · 4.33±0.10(Predicted)
Chemistry & industry
Suppliers1 total
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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