3-[(2-Ethylphenyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Basic information
- CAS
436855-45-7- Standard SMILES
CCc1ccccc1NC(=O)C1C2C=CC(C2)C1C(=O)O- InChIKey
ZBGIPRHVCXCOFL-UHFFFAOYSA-N- Molecular formula
- C17H19NO3
- Average molar mass
- 285.34 g/mol
- Monoisotopic mass
- 285.13649347
Names & identifiers
- Preferred name
- 3-[(2-Ethylphenyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
- IUPAC
- 3-[(2-ethylphenyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Names & synonyms
436855-45-73-[(2-ethylphenyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid3-[[(2-Ethylphenyl)amino]carbonyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid3-{[(2-ethylphenyl)amino]carbonyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acidDTXSID801142005STK411862AKOS003747985ST50919361SR-01000199319SR-01000199319-13-[N-(2-ethylphenyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Database identifiers
- CAS
436855-45-7- PubChem CID
- 2834876
- DTXSID
DTXSID801142005
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 459
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…