Basic information
- Standard SMILES
O=C(O)c1ccc([N+](=O)[O-])c2c1CCCC2- InChIKey
MASUJJRCIYIZGP-UHFFFAOYSA-N- Molecular formula
- C11H11NO4
- Average molar mass
- 221.21 g/mol
Names & identifiers
- Preferred name
- 4-Nitro-5,6,7,8-tetrahydro-1-naphthalenecarboxylic acid
- IUPAC
- 4-nitro-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid
Names & synonyms
95092-69-64-nitro-5,6,7,8-tetrahydronaphthalene-1-carboxylic acidSCHEMBL5755307MASUJJRCIYIZGP-UHFFFAOYSA-N4-Nitro-5,6,7,8-tetrahydro-1-naphthalenecarboxylic acid
Database identifiers
- PubChem CID
- 22261979
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 83.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 299
Related reactions
1 records
Linked notes
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