Basic information
- CAS
5439-28-1- Standard SMILES
CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2CCC(=O)O- InChIKey
MFVSFXSONJGHBA-UHFFFAOYSA-N- Molecular formula
- C23H29NO2
- Average molar mass
- 351.5 g/mol
- Monoisotopic mass
- 351.21982917
Names & identifiers
- Preferred name
- 3-(3,6-Di-tert-butyl-9h-carbazol-9-yl)propanoic acid
- IUPAC
- 3-(3,6-ditert-butylcarbazol-9-yl)propanoic acid
Names & synonyms
5439-28-13-(3,6-di-tert-butyl-9h-carbazol-9-yl)propanoic acid3-(3,6-ditert-butylcarbazol-9-yl)propanoic acidNSC15086DTXSID30280010NSC-15086DS-013805
Database identifiers
- CAS
5439-28-1- PubChem CID
- 225543
- DTXSID
DTXSID30280010
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 42.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 477
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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