Basic information
- CAS
54903-12-7- Standard SMILES
O=C(c1ccccc1)c1ccc2[nH]c(=O)oc2c1- InChIKey
FNIQWNQNMXTVJJ-UHFFFAOYSA-N- Molecular formula
- C14H9NO3
- Average molar mass
- 239.23 g/mol
- Monoisotopic mass
- 239.05824315
Overview
structure given in first source
Names & identifiers
- Preferred name
- 6-Benzoyl-2(3H)-benzoxazolone
- IUPAC
- 6-benzoyl-3H-1,3-benzoxazol-2-one
- English name
- 6-benzoylbenzoxazol-2(3H)-one
- Molecular formula
- C14H9NO3
- Molecular weight
- 239.23
Names & synonyms
6-Benzoyl-2(3H)-benzoxazolone54903-12-76-Benzoyl benzoxazolinone2(3H)-Benzoxazolone, 6-benzoyl-CERM-10194TCD3GGG6BE6-benzoylbenzoxazolidinoneCERM10194DTXSID90203402CERM 10194RefChem:104249DTXCID50125893
Show more names
259-388-76-Benzoylbenzoxazol-2(3H)-one6-benzoyl-3H-1,3-benzoxazol-2-oneJPB 410194CERMEINECS 259-388-7BRN 10768176-Benzoyl-2,3-dihydro-1,3-benzoxazol-2-one
Database identifiers
- CAS
54903-12-7- PubChem CID
- 41225
- DTXSID
DTXSID90203402- ChEMBL
CHEMBL15233- UNII
- TCD3GGG6BE
- EC Number
- 259-388-7
- Nikkaji
- J67.933J
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 349
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Physicochemical properties
- Melting point
- 168 · 168-170 °C(Solv: ethanol (64-17-5))
- Density
- 1.327 · 1.327±0.06 g/cm3(Predicted)
- pka
- 8.77 · 8.77±0.70(Predicted)
Chemistry & industry
Suppliers1 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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