6-Methyl-4-oxo-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
Basic information
- CAS
33448-17-8- Standard SMILES
Cc1ccc2c(c1)C(=O)CC(C(=O)O)C2- InChIKey
FJPCRFNELCYBAJ-UHFFFAOYSA-N- Molecular formula
- C12H12O3
- Average molar mass
- 204.22 g/mol
- Monoisotopic mass
- 204.07864424
Names & identifiers
- Preferred name
- 6-Methyl-4-oxo-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
- IUPAC
- 6-methyl-4-oxo-2,3-dihydro-1H-naphthalene-2-carboxylic acid
Names & synonyms
33448-17-86-Methyl-4-oxo-1,2,3,4-tetrahydronaphthalene-2-carboxylic acidSCHEMBL9221702DTXSID405141516-Methyl-4-oxo-1,2,3,4-tetrahydronaphthalene-2-carboxylicacid
Database identifiers
- CAS
33448-17-8- PubChem CID
- 12965628
- DTXSID
DTXSID40514151- Nikkaji
- J1.809.662E
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 285
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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