2-(4-Carboxyphenoxy)-4-nitrobenzoic acid
Basic information
- CAS
77769-87-0- Standard SMILES
O=C(O)c1ccc(Oc2cc([N+](=O)[O-])ccc2C(=O)O)cc1- InChIKey
DJVZSOYMMHQSII-UHFFFAOYSA-N- Molecular formula
- C14H9NO7
- Average molar mass
- 303.22 g/mol
- Monoisotopic mass
- 303.03790163
Names & identifiers
- Preferred name
- 2-(4-Carboxyphenoxy)-4-nitrobenzoic acid
- IUPAC
- 2-(4-carboxyphenoxy)-4-nitrobenzoic acid
Names & synonyms
2-(4-Carboxyphenoxy)-4-nitrobenzoic acid77769-87-0DTXSID90824156
Database identifiers
- CAS
77769-87-0- PubChem CID
- 71403232
- DTXSID
DTXSID90824156
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 130 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 439
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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