5,6,7,8-Tetrahydro-2-methyl-1,4-naphthalenedione
Basic information
- CAS
58-26-4- Standard SMILES
CC1=CC(=O)C2=C(CCCC2)C1=O- InChIKey
MQFXMYKTKKEIMK-UHFFFAOYSA-N- Molecular formula
- C11H12O2
- Average molar mass
- 176.21 g/mol
- Monoisotopic mass
- 176.08372962
Names & identifiers
- Preferred name
- 5,6,7,8-Tetrahydro-2-methyl-1,4-naphthalenedione
- IUPAC
- 2-methyl-5,6,7,8-tetrahydronaphthalene-1,4-dione
Names & synonyms
58-26-45,6,7,8-Tetrahydro-2-methyl-1,4-naphthalenedioneRefChem:2984735,6,7,8-Tetrahydro-2-methyl-1,4-naphthoquinone2-methyl-5,6,7,8-tetrahydronaphthalene-1,4-dioneSCHEMBL9841825MQFXMYKTKKEIMK-UHFFFAOYSA-NDTXSID6012367732-Methyl-5,6,7,8-tetrahydro-1,4-naphthalenedione #
Database identifiers
- CAS
58-26-4- PubChem CID
- 600648
- DTXSID
DTXSID601236773- Nikkaji
- J1.402.360G
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 345
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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