(3-Hydroxycyclobutyl)methyl 4-methylbenzene-1-sulfonate
Basic information
- CAS
1356924-73-6- Standard SMILES
Cc1ccc(S(=O)(=O)OCC2CC(O)C2)cc1- InChIKey
DPOLGVGCYTVXLI-UHFFFAOYSA-N- Molecular formula
- C12H16O4S
- Average molar mass
- 256.32 g/mol
- Monoisotopic mass
- 256.07693016
Names & identifiers
- Preferred name
- (3-Hydroxycyclobutyl)methyl 4-methylbenzene-1-sulfonate
- IUPAC
- (3-hydroxycyclobutyl)methyl 4-methylbenzenesulfonate
Names & synonyms
1356924-73-6(3-hydroxycyclobutyl)methyl 4-methylbenzene-1-sulfonateRefChem:400280967-022-9(3-hydroxycyclobutyl)methyl 4-methylbenzenesulfonateSCHEMBL15465513DPOLGVGCYTVXLI-UHFFFAOYSA-NEN300-4753947
Database identifiers
- CAS
1356924-73-6- PubChem CID
- 89963196
- EC Number
- 967-022-9
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 72 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 332
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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