Basic information
- Standard SMILES
O=C1NC(=O)C2C3CCC(O3)C12- InChIKey
VKWSKNKAHKHDRI-UHFFFAOYSA-N- Molecular formula
- C8H9NO3
- Average molar mass
- 167.16 g/mol
Names & identifiers
- Preferred name
- 10-Oxa-4-azatricyclo(5.2.1.02,6)decane-3,5-dione
- IUPAC
- 3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione
Names & synonyms
10-OXA-4-AZATRICYCLO(5.2.1.02,6)DECANE-3,5-DIONE10-Oxa-4-azatricyclo[5.2.1.02,6]decane-3,5-dioneRefChem:437065663-022-5hexahydro-1h-4,7-epoxyisoindole-1,3(2h)-dione6253-24-3hexahydro-1H-4,7-epoxyisoindole-1,3-dione18153-10-14,7-Epoxy-1H-isoindole-1,3(2H)-dione, hexahydro-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dioneNSC95301SCHEMBL2548229
Show more names
SCHEMBL11833738DTXSID30939450ALBB-023198NSC45111MFCD00168009NSC-45111NSC-95301NSC190373
Database identifiers
- CAS
18153-10-1、6253-24-3- PubChem CID
- 239727
- DTXSID
DTXSID30939450- EC Number
- 663-022-5
Properties
Computed structural properties
- XLogP
- -0.7
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 249
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Related reactions
3 records
Linked notes
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