Basic information
- CAS
87627-08-5- Standard SMILES
O=C(O)Cc1cccc2c(=O)cc(-c3ccc4ccccc4c3)oc12- InChIKey
QTEYJXQDEBFAGS-UHFFFAOYSA-N- Molecular formula
- C21H14O4
- Average molar mass
- 330.3 g/mol
- Monoisotopic mass
- 330.08920892
Names & identifiers
- Preferred name
- [2-(Naphthalen-2-yl)-4-oxo-4H-1-benzopyran-8-yl]acetic acid
- IUPAC
- 2-(2-naphthalen-2-yl-4-oxochromen-8-yl)acetic acid
Names & synonyms
87627-08-5NSC358316DTXSID60320357[2-(Naphthalen-2-yl)-4-oxo-4H-1-benzopyran-8-yl]acetic acidNSC-358316
Database identifiers
- CAS
87627-08-5- PubChem CID
- 337983
- DTXSID
DTXSID60320357- Nikkaji
- J767.294B
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 566
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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