Basic information
- CAS
21970-45-6- Standard SMILES
O=C(O)/C(=C\c1ccc([N+](=O)[O-])cc1)c1cccc2ccccc12- InChIKey
YGYDRXWEJXQBOH-PDGQHHTCSA-N- Molecular formula
- C19H13NO4
- Average molar mass
- 319.3 g/mol
- Monoisotopic mass
- 319.0844579
Names & identifiers
- Preferred name
- (Z)-2-naphthalen-1-yl-3-(4-nitrophenyl)prop-2-enoic acid
- IUPAC
- (Z)-2-naphthalen-1-yl-3-(4-nitrophenyl)prop-2-enoic acid
Names & synonyms
NSC180679NSC-18067921970-45-6
Database identifiers
- CAS
21970-45-6- PubChem CID
- 6309331
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 83.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 502
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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