Basic information
- Standard SMILES
O=C(O)C1CCC(c2ccc([N+](=O)[O-])cc2)CC1- InChIKey
ZUARBRLWEPUHQB-UHFFFAOYSA-N- Molecular formula
- C13H15NO4
- Average molar mass
- 249.26 g/mol
- Monoisotopic mass
- 249.10010796
Names & identifiers
- Preferred name
- trans-4-(4-Nitrophenyl)cyclohexanecarboxylic acid
- IUPAC
- 4-(4-nitrophenyl)cyclohexane-1-carboxylic acid
Names & synonyms
113524-42-8SCHEMBL3300908SCHEMBL3300911SCHEMBL6297782ZUARBRLWEPUHQB-HOMQSWHASA-N4-(4-Nitrophenyl)cyclohexanecarboxylic acidtrans-4-(4-Nitrophenyl)cyclohexanecarboxylic acid
Database identifiers
- PubChem CID
- 21799237
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 83.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 309
Related reactions
1 records
Compound notes
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