5H,6H,7H-pyrazolo[3,2-b][1,3]oxazine-3-carbaldehyde
Basic information
- CAS
1706433-45-5- Standard SMILES
O=Cc1cnn2c1OCCC2- InChIKey
UCVIPYQHTWRTBR-UHFFFAOYSA-N- Molecular formula
- C7H8N2O2
- Average molar mass
- 152.15 g/mol
- Monoisotopic mass
- 152.0585775
Names & identifiers
- Preferred name
- 5H,6H,7H-pyrazolo[3,2-b][1,3]oxazine-3-carbaldehyde
- IUPAC
- 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbaldehyde
Names & synonyms
1706433-45-55H,6H,7H-pyrazolo[3,2-b][1,3]oxazine-3-carbaldehyde5H,6H,7H-pyrazolo(3,2-b)(1,3)oxazine-3-carbaldehydeRefChem:538137889-686-86,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbaldehydeSCHEMBL24346281GTC43345AKOS024049826AT12737CS-0448154EN300-333492
Show more names
F2147-3050Z1939443047
Database identifiers
- CAS
1706433-45-5- PubChem CID
- 84649596
- EC Number
- 889-686-8
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 44.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 163
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]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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 CategoriesAcute Tox. 4 (100%)
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Related reactions
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Compound notes
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