Basic information
- CAS
5780-34-7- Standard SMILES
C1CN2CCOC2O1- InChIKey
LTMRLZSHHUFQDP-UHFFFAOYSA-N- Molecular formula
- C5H9NO2
- Average molar mass
- 115.13 g/mol
- Monoisotopic mass
- 115.06332853
Names & identifiers
- Preferred name
- 1-Aza-4,6-dioxabicyclo(3.3.0)octane
- IUPAC
- 3,5,6,7a-tetrahydro-2H-[1,3]oxazolo[2,3-b][1,3]oxazole
Names & synonyms
5780-34-71-Aza-4,6-dioxabicyclo(3.3.0)octane1-AZA-4,6-DIOXABICYCLO[3.3.0]OCTANEEINECS 227-305-3A44C4LP5LY7aH-Oxazolo(2,3-b)oxazole, tetrahydro-NSC-117333DTXSID70206496NSC 117333Tetrahydro-7aH-oxazolo[2,3-b]oxazoleTETRAHYDRO-7AH-OXAZOLO(2,3-B)OXAZOLE4,6-DIOXA-1-AZABICYCLO(3.3.0)OCTANE
Show more names
RefChem:74917DTXCID70128987227-305-3TETRAHYDRO-2H-[1,3]OXAZOLO[2,3-B][1,3]OXAZOLEtetrahydro[1,3]oxazolo[2,3-b][1,3]oxazoleTetrahydrooxazolo[2,3-b]oxazoleNSC117333UNII-A44C4LP5LY
Database identifiers
- CAS
5780-34-7- PubChem CID
- 79843
- DTXSID
DTXSID70206496- UNII
- A44C4LP5LY
- EC Number
- 227-305-3
- Nikkaji
- J218.043J
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 21.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 86.4
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]
P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Related reactions
6 records
Compound notes
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