4,5,8-Trimethyl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
Basic information
- CAS
14557-88-1- Standard SMILES
Cc1ccc(C)c2c1CC(C(=O)O)CC2C- InChIKey
BXLWMFTXONCQMK-UHFFFAOYSA-N- Molecular formula
- C14H18O2
- Average molar mass
- 218.29 g/mol
- Monoisotopic mass
- 218.13067981
Names & identifiers
- Preferred name
- 4,5,8-Trimethyl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
- IUPAC
- 4,5,8-trimethyl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
Names & synonyms
14557-88-14,5,8-trimethyl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acidNSC138960DTXSID103007802-Naphthalenecarboxylicacid, 1,2,3,4-tetrahydro-4,5,8-trimethyl-NSC-138960DS-013480
Database identifiers
- CAS
14557-88-1- PubChem CID
- 283763
- DTXSID
DTXSID10300780
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 274
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…