Basic information
- Standard SMILES
[13CH3][13c]1[13cH][13c](O)[13cH][13c]2o[13c](=O)[13c]3[13c](O)[13cH][13c](O)[13cH][13c]3[13c]12- InChIKey
CEBXXEKPIIDJHL-FIJHWJEJSA-N- Molecular formula
- C14H10O5
- Average molar mass
- 272.12 g/mol
- Monoisotopic mass
- 272.09979111
Names & identifiers
- Preferred name
- Alternariol-13C14
- IUPAC
- 3,7,9-trihydroxy-1-(113C)methylbenzo[c]chromen-6-one
Names & synonyms
Alternariol-13C14Alternariol 13C14 25 microg/mL in AcetonitrileDTXSID001381681HY-N6714S2CS-0910049
Database identifiers
- PubChem CID
- 165437643
- DTXSID
DTXSID001381681
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 87 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 371
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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