Basic information
- CAS
676124-27-9- Standard SMILES
COc1ccc2c(c1OC)COC(=O)C2O- InChIKey
MZJXPELOWWDCHX-UHFFFAOYSA-N- Molecular formula
- C11H12O5
- Average molar mass
- 224.21 g/mol
- Monoisotopic mass
- 224.06847348
Overview
structure in first source
Names & identifiers
- Preferred name
- 4-Hydroxy-7,8-dimethoxyisochroman-3-one
- IUPAC
- 4-hydroxy-7,8-dimethoxy-1,4-dihydroisochromen-3-one
Names & synonyms
4-hydroxy-7,8-dimethoxyisochroman-3-oneRefChem:9125654-HDMC676124-27-93H-2-Benzopyran-3-one, 1,4-dihydro-4-hydroxy-7,8-dimethoxy-DTXSID304609164-Hydroxy-7,8-dimethoxy-1,4-dihydro-3H-2-benzopyran-3-one
Database identifiers
- CAS
676124-27-9- PubChem CID
- 11276136
- DTXSID
DTXSID30460916- Nikkaji
- J2.047.668K
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 65 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 267
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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