Basic information
- CAS
26489-16-7- Standard SMILES
O=S(=O)(O)OCc1cccc2ccccc12- InChIKey
JEDWKNBAFZRVDI-UHFFFAOYSA-N- Molecular formula
- C11H10O4S
- Average molar mass
- 238.26 g/mol
- Monoisotopic mass
- 238.02997997
Overview
1-methylnaphthyl sulfate is a member of naphthalenes and an aryl sulfate.
Names & identifiers
- Preferred name
- 1-Menaphthyl sulfate
- IUPAC
- naphthalen-1-ylmethyl hydrogen sulfate
- English name
- 1-menaphthyl sulfate
- Molecular formula
- C11H10O4S
- Molecular weight
- 238.26
Names & synonyms
1-Menaphthyl sulfate1-Methylnaphthyl sulfate26489-16-7II2K3JD06RDTXSID801810831-Naphthalenemethanol, hydrogen sulfate1-menaphthyl sulphateRefChem:76141DTXCID90103574naphthalen-1-ylmethyl hydrogen sulfateUNII-II2K3JD06RMENAPHTHYL SULFATE
Show more names
SCHEMBL30363574CHEBI:233678(Naphthalen-1-yl)methyl hydrogen sulfate1-NAPHTHALENEMETHANOL, 1-(HYDROGEN SULFATE)Q27280740
Database identifiers
- CAS
26489-16-7- PubChem CID
- 33524
- DTXSID
DTXSID80181083- ChEBI
CHEBI:233678- UNII
- II2K3JD06R
- Nikkaji
- J1.718.742B
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 72 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 319
Physicochemical properties
- Density
- 1.446 · 1.446±0.06 g/cm3(Predicted)
- pka
- -3 · -3+-.0.18(Predicted)
- FDA UNII
- 2 K3JD06R · II2K3JD06R
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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