Basic information
- CAS
1276024-97-5- Standard SMILES
O=Cc1ccc(C2CCOCC2)cc1- InChIKey
KBWACNUZFFPOKQ-UHFFFAOYSA-N- Molecular formula
- C12H14O2
- Average molar mass
- 190.24 g/mol
Names & identifiers
- Preferred name
- 4-(Oxan-4-yl)benzaldehyde
- IUPAC
- 4-(oxan-4-yl)benzaldehyde
Names & synonyms
4-(OXAN-4-YL)BENZALDEHYDE1276024-97-5RefChem:516536843-716-64-(tetrahydro-2H-pyran-4-yl)benzaldehydeSCHEMBL12274998KBWACNUZFFPOKQ-UHFFFAOYSA-NMFCD24678348EN300-330507H80882Z1511809910
Database identifiers
- CAS
1276024-97-5- PubChem CID
- 76542528
- EC Number
- 843-716-6
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 177
Safety & regulation
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%)
Related reactions
2 records
Compound notes
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