Basic information
- CAS
710268-75-0- Standard SMILES
CC(C)c1c(S(=O)(=O)O)ccc2ccccc12- InChIKey
MRIOWYUNDFDYOT-UHFFFAOYSA-N- Molecular formula
- C13H14O3S
- Average molar mass
- 250.32 g/mol
- Monoisotopic mass
- 250.06636548
Names & identifiers
- Preferred name
- 1-(1-Methylethyl)-2-naphthalenesulfonic acid
- IUPAC
- 1-propan-2-ylnaphthalene-2-sulfonic acid
Names & synonyms
1-(1-Methylethyl)-2-naphthalenesulfonic acidSCHEMBL8963944SCHEMBL29898263DTXSID50864053710268-75-01-(Propan-2-yl)naphthalene-2-sulfonic acid
Database identifiers
- CAS
710268-75-0- PubChem CID
- 412062
- DTXSID
DTXSID50864053
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 62.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 355
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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