Basic information
- CAS
3947-97-5- Standard SMILES
O=c1cc(-c2ccccc2)c1=O- InChIKey
KLGVPAWHYZDGCX-UHFFFAOYSA-N- Molecular formula
- C10H6O2
- Average molar mass
- 158.15 g/mol
- Monoisotopic mass
- 158.03677943
Names & identifiers
- Preferred name
- 3-Phenyl-3-cyclobutene-1,2-dione
- IUPAC
- 3-phenylcyclobut-3-ene-1,2-dione
- English name
- 3-phenyl-3-cyclobutene-1,2-dione
- Molecular formula
- C10H6O2
- Molecular weight
- 158.15344
Names & synonyms
3-Phenyl-3-cyclobutene-1,2-dione3-phenylcyclobut-3-ene-1,2-dione3947-97-5PhenylcyclobutenedioneCyclobutenedione, phenyl-MFCD000990633-Cyclobutene-1,2-dione, 3-phenyl-NSC33255EINECS 223-540-03-Cyclobutene-1, 3-phenyl-3-Phenylcyclobutene-1,2-dioneSCHEMBL5973866
Show more names
3-phenylcyclobut-3-ene-1,2-dion
DTXSID001926113-phenyl-cyclobut-3-ene-1,2-dioneNSC 33255NSC-33255AKOS0244058693-Phenyl-3-cyclobutene-1,2-dione #NS00030583EN300-24500741
Database identifiers
- CAS
3947-97-5- PubChem CID
- 77552
- DTXSID
DTXSID00192611- EC Number
- 223-540-0
- Nikkaji
- J79.885A
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 257
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]
P264, P270, P301+P317, P330, 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%)
Chemistry & industry
Suppliers1 total
南京世洲生物科技有限公司13675144456 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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