1H,3H,4H-Pyrrolo[2,1-c][1,4]oxazine-1,3-dione
Basic information
- CAS
2095409-32-6- Standard SMILES
O=C1Cn2cccc2C(=O)O1- InChIKey
BUEFEPGXIYXLQZ-UHFFFAOYSA-N- Molecular formula
- C7H5NO3
- Average molar mass
- 151.12 g/mol
- Monoisotopic mass
- 151.02694302
Names & identifiers
- Preferred name
- 1H,3H,4H-Pyrrolo[2,1-c][1,4]oxazine-1,3-dione
- IUPAC
- 4H-pyrrolo[2,1-c][1,4]oxazine-1,3-dione
Names & synonyms
1H,3H,4H-Pyrrolo[2,1-c][1,4]oxazine-1,3-dione2095409-32-64H-pyrrolo[2,1-c][1,4]oxazine-1,3-dioneEN300-345825
Database identifiers
- CAS
2095409-32-6- PubChem CID
- 137838457
- EC Number
- 184-436-8
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 48.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 214
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%)
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Related reactions
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Compound notes
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