Basic information
- CAS
132-78-5- Standard SMILES
O=S(=O)(O)Cc1cccc2ccccc12- InChIKey
AKBIVIMPMQGECH-UHFFFAOYSA-N- Molecular formula
- C11H10O3S
- Average molar mass
- 222.26 g/mol
- Monoisotopic mass
- 222.03506535
Names & identifiers
- Preferred name
- Naphthalen-1-ylmethanesulfonic acid
- IUPAC
- naphthalen-1-ylmethanesulfonic acid
Names & synonyms
5324-93-6naphthalen-1-ylmethanesulfonic acidSCHEMBL40373SCHEMBL295141SCHEMBL3979542SCHEMBL10478923SCHEMBL10478927DTXSID80328158(Naphthalen-1-yl)methanesulfonic acid
Database identifiers
- CAS
132-78-5、5324-93-6- PubChem CID
- 407199
- DTXSID
DTXSID80328158
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 62.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 304
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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