4,7-Dimethoxy-3-methyl-2,3-dihydro-1H-inden-1-one
Basic information
- CAS
59743-67-8- Standard SMILES
COc1ccc(OC)c2c1C(=O)CC2C- InChIKey
SUEAWVWSLMANOD-UHFFFAOYSA-N- Molecular formula
- C12H14O3
- Average molar mass
- 206.24 g/mol
- Monoisotopic mass
- 206.0942943
Names & identifiers
- Preferred name
- 4,7-Dimethoxy-3-methyl-2,3-dihydro-1H-inden-1-one
- IUPAC
- 4,7-dimethoxy-3-methyl-2,3-dihydroinden-1-one
Names & synonyms
4,7-Dimethoxy-3-methyl-2,3-dihydro-1H-inden-1-one59743-67-84,7-dimethoxy-3-methyl-2,3-dihydroinden-1-oneMLS003107222SMR001822097NSC208755cid_308152CHEMBL2138373SCHEMBL11870837BDBM96157DTXSID90308744SUEAWVWSLMANOD-UHFFFAOYSA-N
Show more names
3-methyl-4,7-dimethoxyindan-1-one4,7-dimethoxy-3-methyl-indan-1-oneAKOS013134197NSC-208755DB-348974
Database identifiers
- CAS
59743-67-8- PubChem CID
- 308152
- DTXSID
DTXSID90308744- ChEMBL
CHEMBL2138373
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 251
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Related reactions
1 records
Compound notes
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