Basic information
- CAS
58818-75-0- Standard SMILES
O=C(O)C(=Cc1cccc2ccccc12)C(=O)O- InChIKey
FUMCVFJTULMDNL-UHFFFAOYSA-N- Molecular formula
- C14H10O4
- Average molar mass
- 242.23 g/mol
- Monoisotopic mass
- 242.0579088
Names & identifiers
- Preferred name
- [(Naphthalen-1-yl)methylidene]propanedioic acid
- IUPAC
- 2-(naphthalen-1-ylmethylidene)propanedioic acid
Names & synonyms
58818-75-0NSC361631[(Naphthalen-1-yl)methylidene]propanedioic acidSCHEMBL7189395DTXSID30320586NSC-361631
Database identifiers
- CAS
58818-75-0- PubChem CID
- 338554
- DTXSID
DTXSID30320586- Nikkaji
- J1.541.330A
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 356
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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