3,4-Dihydro-6,8-dihydroxy-3,4,5-trimethyl-1H-2-benzopyran-7-carboxylic acid
Completing data — refresh the page later to see the latest
Basic information
- CAS
3861-60-7- Standard SMILES
Cc1c(O)c(C(=O)O)c(O)c2c1C(C)C(C)OC2- InChIKey
OHTHCLNOXXLROK-UHFFFAOYSA-N- Molecular formula
- C13H16O5
- Average molar mass
- 252.26 g/mol
- Monoisotopic mass
- 252.09977361
Overview
3,4-Dihydro-6,8-dihydroxy-3,4,5-trimethyl-1H-2-benzopyran-7-carboxylic acid has been reported in Penicillium citrinum and Penicillium with data available.
Names & identifiers
- Preferred name
- 3,4-Dihydro-6,8-dihydroxy-3,4,5-trimethyl-1H-2-benzopyran-7-carboxylic acid
- IUPAC
- 6,8-dihydroxy-3,4,5-trimethyl-3,4-dihydro-1H-isochromene-7-carboxylic acid
- English name
- 6,8-dihydroxy-3,4,5-trimethyl-isochroman-7-carboxylic acid
- Molecular formula
- C13H16O5
- Molecular weight
- 0
Names & synonyms
3,4-Dihydro-6,8-dihydroxy-3,4,5-trimethyl-1H-2-benzopyran-7-carboxylic acid6,8-dihydroxy-3,4,5-trimethyl-3,4-dihydro-1H-isochromene-7-carboxylic acidDTXSID809189326,8-DIHYDROXY-3,4,5-TRIMETHYL-3,4-DIHYDRO-1H-2-BENZOPYRAN-7-CARBOXYLIC ACIDdihydrocitrinin6,8-dihydroxy-3,4,5-trimethyl-isochroman-7-carboxylic acid
Database identifiers
- CAS
3861-60-7、92838-21-6- PubChem CID
- 146385
- DTXSID
DTXSID80918932
Properties
Computed structural propertiesFilling in
- XLogP
- 2.7
- Topological polar surface area
- 87 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 331
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…