Benzoic acid, 4-(1,3-dioxo-1,3,4,5,6,7-hexahydro-2H-isoindol-2-yl)-
Basic information
- CAS
39985-88-1- Standard SMILES
O=C(O)c1ccc(N2C(=O)C3=C(CCCC3)C2=O)cc1- InChIKey
DVIKCJFKHIFINX-UHFFFAOYSA-N- Molecular formula
- C15H13NO4
- Average molar mass
- 271.27 g/mol
- Monoisotopic mass
- 271.0844579
Names & identifiers
- Preferred name
- Benzoic acid, 4-(1,3-dioxo-1,3,4,5,6,7-hexahydro-2H-isoindol-2-yl)-
- IUPAC
- 4-(1,3-dioxo-4,5,6,7-tetrahydroisoindol-2-yl)benzoic acid
Names & synonyms
39985-88-1BENZOIC ACID, 4-(1,3-DIOXO-1,3,4,5,6,7-HEXAHYDRO-2H-ISOINDOL-2-YL)-DTXSID70193034RefChem:1079105DTXCID801155254-(1,3-Dioxo-4,5,6,7-tetrahydro-1H-isoindol-2(3H)-yl)benzoic acid4-(1,3-Dioxo-1,3,4,5,6,7-hexahydro-2H-isoindol-2-yl)benzoic acid4-(1,3-dioxo-4,5,6,7-tetrahydroisoindol-2-yl)benzoic acid4-(1,3-dioxo-2,3,4,5,6,7-hexahydro-1H-isoindol-2-yl)benzoic acidBRN 1481576Imid kwasu (p-karboksyfenylo)-3,4,5,6-tetrahydroftalowego [Polish]5-21-10-00129 (Beilstein Handbook Reference)
Show more names
SCHEMBL24939822Imid kwasu (p-karboksyfenylo)-3,4,5,6-tetrahydroftalowegoAKOS0081080994-(1,3,4,5,6,7-hexahydro-1,3-dioxo-2h-isoindol-2-yl) benzoic acid
Database identifiers
- CAS
39985-88-1- PubChem CID
- 38376
- DTXSID
DTXSID70193034
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
- 20
- Formal charge
- 0
- Complexity
- 472
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…