Benzenebutanoic acid, 4-cyclohexyl-3-nitro-gamma-oxo-
Basic information
- CAS
32808-55-2- Standard SMILES
O=C(O)CCC(=O)c1ccc(C2CCCCC2)c([N+](=O)[O-])c1- InChIKey
DEULGGHKUPRTPO-UHFFFAOYSA-N- Molecular formula
- C16H19NO5
- Average molar mass
- 305.32 g/mol
- Monoisotopic mass
- 305.12632271
Names & identifiers
- Preferred name
- Benzenebutanoic acid, 4-cyclohexyl-3-nitro-gamma-oxo-
- IUPAC
- 4-(4-cyclohexyl-3-nitrophenyl)-4-oxobutanoic acid
Names & synonyms
CB 850Benzenebutanoic acid, 4-cyclohexyl-3-nitro-gamma-oxo-BRN 239619632808-55-24-Cyclohexyl-3-nitro-gamma-oxobenzenebutanoic acidDTXSID40186478RefChem:324407DTXCID501089694-(4-cyclohexyl-3-nitrophenyl)-4-oxobutanoic acidSCHEMBL7325655
Database identifiers
- CAS
32808-55-2- PubChem CID
- 208671
- DTXSID
DTXSID40186478
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 425
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…