Basic information
- CAS
14927-61-8- Standard SMILES
Cc1ccc(S(=O)(=O)O)c2ccccc12- InChIKey
ZTDJDNLZVGJTBW-UHFFFAOYSA-N- Molecular formula
- C11H10O3S
- Average molar mass
- 222.26 g/mol
- Monoisotopic mass
- 222.03506535
Names & identifiers
- Preferred name
- 4-Methyl-1-naphthalenesulfonic acid
- IUPAC
- 4-methylnaphthalene-1-sulfonic acid
Names & synonyms
4-Methyl-1-naphthalenesulfonic acidR122M3UK7614927-61-81-Naphthalenesulfonic acid, 4-methyl-UNII-R122M3UK76RefChem:1987254-methylnaphthalene-1-sulfonic AcidSCHEMBL2662857Q27287636
Database identifiers
- CAS
14927-61-8- PubChem CID
- 410053
- UNII
- R122M3UK76
- Nikkaji
- J178.470F
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 62.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 317
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…