5-Acenaphthylenesulfonic acid, 1,2-dihydro-
Basic information
- CAS
53700-79-1- Standard SMILES
O=S(=O)(O)c1ccc2c3c(cccc13)CC2- InChIKey
XXACHQRFXDSJNO-UHFFFAOYSA-N- Molecular formula
- C12H10O3S
- Average molar mass
- 234.27 g/mol
- Monoisotopic mass
- 234.03506535
Names & identifiers
- Preferred name
- 5-Acenaphthylenesulfonic acid, 1,2-dihydro-
- IUPAC
- 1,2-dihydroacenaphthylene-5-sulfonic acid
- English name
- acenaphthene-5-sulphonic acid
- Molecular formula
- C12H10O3S
- Molecular weight
- 234.27
Names & synonyms
53700-79-15-Acenaphthylenesulfonic acid, 1,2-dihydro-Acenaphthene-5-sulfonic acidEINECS 258-706-1DTXSID9068877RefChem:531845DTXCID90414971,2-dihydroacenaphthylene-5-sulfonic acidAcenaphthene-5-sulphonic acidMFCD105668591,2-dihydro-5-Acenaphthylenesulfonic acid5-Acenaphthylenesulfonicacid, 1,2-dihydro-
Show more names
5-Acenaphthenesulfonic acid1,2-dihydro-5-Acenaphthylenesulfonicacid
RE794FJ2H6SCHEMBL1729565XXACHQRFXDSJNO-UHFFFAOYSA-NALBB-023591AKOS0159981471,2-dihydroacenaphthylene-5-sulfonicacidDB-243009NS00032818
Database identifiers
- CAS
53700-79-1- PubChem CID
- 104565
- DTXSID
DTXSID9068877- UNII
- RE794FJ2H6
- EC Number
- 258-706-1
- Nikkaji
- J56.216E
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 62.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 370
Physicochemical properties
- Density
- 1.485 · 1.485±0.06 g/cm3(Predicted)
- pka
- 0.47 · 0.47±0.20(Predicted)
- EPA Substance Registry System
- 5 · 5-Acenaphthylenesulfonic acid, 1,2-dihydro- (53700-79-1)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information5-Acenaphthylenesulfonic acid, 1,2-dihydro-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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