4-(1-(Tert-butoxycarbonyl)-3-hydroxyazetidin-3-yl)benzoic acid
Basic information
- CAS
2231674-42-1- Standard SMILES
CC(C)(C)OC(=O)N1CC(O)(c2ccc(C(=O)O)cc2)C1- InChIKey
IAUXTZFBZGLNQB-UHFFFAOYSA-N- Molecular formula
- C15H19NO5
- Average molar mass
- 293.31 g/mol
- Monoisotopic mass
- 293.12632271
Names & identifiers
- Preferred name
- 4-(1-(Tert-butoxycarbonyl)-3-hydroxyazetidin-3-yl)benzoic acid
- IUPAC
- 4-[3-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]benzoic acid
Names & synonyms
2231674-42-14-(1-(tert-butoxycarbonyl)-3-hydroxyazetidin-3-yl)benzoic acid4-{1-[(tert-butoxy)carbonyl]-3-hydroxyazetidin-3-yl}benzoic acid
Database identifiers
- CAS
2231674-42-1- PubChem CID
- 137346751
- EC Number
- 172-809-8
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 87.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 414
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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 CategoriesSkin Irrit. 2 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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