Basic information
- CAS
30888-05-2- Standard SMILES
CC1(O)Cc2cccc(O)c2C(=O)O1- InChIKey
SDGOMJUKDHSPPU-UHFFFAOYSA-N- Molecular formula
- C10H10O4
- Average molar mass
- 194.18 g/mol
- Monoisotopic mass
- 194.0579088
Overview
3,4-dihydro-3,8-dihydroxy-3-methylisocoumarin has been reported in Phoma with data available.
Names & identifiers
- Preferred name
- 3,4-Dihydro-3,8-dihydroxy-3-methylisocoumarin
- IUPAC
- 3,8-dihydroxy-3-methyl-4H-isochromen-1-one
- English name
- 1H-2-Benzopyran-1-one, 3,4-dihydro-3,8-dihydroxy-3-methyl-
- Molecular formula
- C10H10O4
- Molecular weight
- 194.18
Names & synonyms
30888-05-23,8-Dihydroxy-3-methylisochroman-1-one1H-2-Benzopyran-1-one, 3,4-dihydro-3,8-dihydroxy-3-methyl-IAA7ET557X3-Methyl-3,8-dihydroxy-3,4-dihydroisocoumarinIsocoumarin, 3,4-dihydro-3,8-dihydroxy-3-methyl-3,4-DIHYDRO-3,8-DIHYDROXY-3-METHYLISOCOUMARIN3,8-dihydroxy-3-methyl-4H-isochromen-1-oneRefChem:10657511H-2-Benzopyran-1-one, 3,4-dihydro-3,8-dihydroxy-3-methyl-, (-)-BRN 3049810(-)-3,4-Dihydro-3,8-dihydroxy-3-methyl-1H-2-benzopyran-1-one
Show more names
3,4-Dihydro-3,8-dihydroxy-3-methyl-1H-2-benzopyran-1-oneUNII-IAA7ET557XDTXSID20953064Isocoumarin, 3,4-dihydro-4,8-dihydroxy-3-methyl-, (-)-SDGOMJUKDHSPPU-UHFFFAOYSA-N3,8-dihydroxy-3-methyl-3,4-dihydro-1H-2-benzopyran-1-oneAKOS00627681430951-11-2
Database identifiers
- CAS
30888-05-2、30951-11-2- PubChem CID
- 93142
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 253
Physicochemical properties
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 7 ET557X · IAA7ET557X
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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