Basic information
- CAS
51085-93-9- Standard SMILES
COc1ccc2occ(C(=O)O)c(=O)c2c1- InChIKey
CKKSTBSDUGEMOZ-UHFFFAOYSA-N- Molecular formula
- C11H8O5
- Average molar mass
- 220.18 g/mol
- Monoisotopic mass
- 220.03717335
Names & identifiers
- Preferred name
- 6-methoxy-4-oxo-4H-chromene-3-carboxylic acid
- IUPAC
- 6-methoxy-4-oxochromene-3-carboxylic acid
Names & synonyms
6-methoxy-4-oxo-4H-chromene-3-carboxylic acid51085-93-9SCHEMBL6720375DTXSID8012349116-methoxy-4-oxo-4H-chromene-3-carboxylicacid6-Methoxy-4-oxo-4H-1-benzopyran-3-carboxylic acid
Database identifiers
- CAS
51085-93-9- PubChem CID
- 12200769
- DTXSID
DTXSID801234911
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 72.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 346
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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