Basic information
- CAS
4481-35-0- Standard SMILES
O=c1cc2cccccc-2o1- InChIKey
LBFAKLHYVDQHRO-UHFFFAOYSA-N- Molecular formula
- C9H6O2
- Average molar mass
- 146.14 g/mol
- Monoisotopic mass
- 146.03677943
Names & identifiers
- Preferred name
- 2H-Cyclohepta[b]furan-2-one
- IUPAC
- cyclohepta[b]furan-2-one
- English name
- 2H-Cyclohepta(b)furan-2-one
- Molecular formula
- C9H6O2
- Molecular weight
- 146.14
Names & synonyms
2H-Cyclohepta[b]furan-2-one4481-35-02H-Cyclohepta(b)furan-2-onecyclohepta[b]furan-2-oneNSC291559X4QU33X3PGNSC-291559CYCLOHEPTA(B)FURAN-2-ONENSC 2915591-oxa-azulen-2-oneUNII-X4QU33X3PGSCHEMBL460797
Show more names
LBFAKLHYVDQHRO-UHFFFAOYSA-{2H-Cyclohepta[b]furan-2-one}DTXSID40196310AKOS006290465InChI=1/C9H6O2/c10-9-6-7-4-2-1-3-5-8(7)11-9/h1-6H
Database identifiers
- CAS
4481-35-0- PubChem CID
- 324820
- DTXSID
DTXSID40196310- UNII
- X4QU33X3PG
- Nikkaji
- J1.257.751F
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 316
Physicochemical properties
- FDA UNII
- 4 QU33X3PG · X4QU33X3PG
Chemistry & industry
Suppliers1 total
河南伊诺凯新材料有限公司15565215982 15565215982 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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