Basic information
- CAS
63283-24-9- Standard SMILES
CCCCCCCCCOS(=O)(=O)O- InChIKey
KETHQOOVMIVLCH-UHFFFAOYSA-N- Molecular formula
- C9H20O4S
- Average molar mass
- 224.32 g/mol
- Monoisotopic mass
- 224.10823029
Overview
monononyl sulfate has been reported in Daphnia pulex with data available.
Names & identifiers
- Preferred name
- Monononyl sulfate
- IUPAC
- nonyl hydrogen sulfate
Names & synonyms
Monononyl sulfatenonyl hydrogen sulfateH97V2OF3DDSulfuric acid, monononyl esterUNII-H97V2OF3DD63283-24-9DTXSID2047488hydron;nonyl sulfateRefChem:159597DTXCID0027488NONANOLSULFATSCHEMBL374800
Show more names
CHEMBL3305966KETHQOOVMIVLCH-UHFFFAOYSA-NNS00005697Q27893444
Database identifiers
- CAS
63283-24-9- PubChem CID
- 70619
- DTXSID
DTXSID2047488- ChEMBL
CHEMBL3305966- UNII
- H97V2OF3DD
- Nikkaji
- J140.468G
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 72 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 205
Experimental & physicochemical properties
Collision Cross Section154.5 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID7047487]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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