Basic information
- Standard SMILES
O=C1OC(=O)N2CCCC12- InChIKey
JNWNBXNPBSVNMU-UHFFFAOYSA-N- Molecular formula
- C6H7NO3
- Average molar mass
- 141.12 g/mol
- Monoisotopic mass
- 141.04259308
Names & identifiers
- Preferred name
- 1H,3H-Pyrrolo(1,2-c)Oxazole-1,3-dione Tetrahydro-(7aS)-
- IUPAC
- 5,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazole-1,3-dione
- English name
- tetrahydro-1H,3H-pyrrolo[1,2-c]oxazole-1,3-dione
- Molecular formula
- C6H7NO3
- Molecular weight
- 141.12468
Names & synonyms
45736-33-2RefChem:4377541H,3H-Pyrrolo(1,2-c)Oxazole-1,3-dione Tetrahydro-(7aS)-691-846-55626-64-2Tetrahydro-1H,3H-pyrrolo(1,2-c)oxazole-1,3-dioneTETRAHYDRO-1H,3H-PYRROLO[1,2-C]OXAZOLE-1,3-DIONE(7AS)-TETRAHYDRO-1H,3H-PYRROLO[1,2-C]OXAZOLE-1,3-DIONEEINECS 227-066-5SCHEMBL8844037JNWNBXNPBSVNMU-UHFFFAOYSA-DTXSID10971691
Show more names
Tetrahydro-1H-pyrrolo[1,2-c]oxazole-1,3-dione1H,3H-Pyrrolo[1,2-c]oxazole-1,3-dione, tetrahydro-
JNWNBXNPBSVNMU-UHFFFAOYSA-NNS00044961Tetrahydro-1H,3H-pyrrolo[1,2-c][1,3]oxazole-1,3-dioneInChI=1/C6H7NO3/c8-5-4-2-1-3-7(4)6(9)10-5/h4H,1-3H2
Database identifiers
- CAS
45736-33-2、5626-64-2- PubChem CID
- 110686
- DTXSID
DTXSID10971691- EC Number
- 227-066-5、691-846-5
- Nikkaji
- J225.065I
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 46.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 201
Safety & regulation
GHS classification
GHS Classification
Danger
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+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%)
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers4 total
云南苏理生物医药科技有限公司0871-68355600 18787766125
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
陕西缔都医药化工有限公司029-81154043 17391733319 · [email protected]
上海齐奥化工科技有限公司021-58892003 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Linked notes
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