Basic information
- Standard SMILES
O=C1COc2ccc3ccccc3c2N1- InChIKey
PWEJJSREWZMHGC-UHFFFAOYSA-N- Molecular formula
- C12H9NO2
- Average molar mass
- 199.2 g/mol
- Monoisotopic mass
- 199.06332853
Names & identifiers
- Preferred name
- 1H-naphth(2,1-b)(1,4)oxazin-2(3H)-one
- IUPAC
- 1H-benzo[f][1,4]benzoxazin-2-one
- English name
- 1H-naphth[2,1-b][1,4]oxazin-2(3H)-one
- Molecular formula
- C12H9NO2
- Molecular weight
- 199.20536
Names & synonyms
1h-naphth[2,1-b][1,4]oxazin-2(3h)-one14847-35-9EINECS 238-907-01H-Naphth(2,1-b)(1,4)oxazin-2(3H)-oneRefChem:79897238-907-01H-naphtho[2,1-b][1,4]oxazin-2(3H)-one1H-benzo[f][1,4]benzoxazin-2-oneSCHEMBL4890988DTXSID70933417STL365595AKOS003407303
Show more names
2-Oxo-2,3-dihydro-1H-naphtho(2,1-b)(1,4)oxazine
1H-naphtho[2,1-b][1,4]oxazin-2-one3H-Naphtho[2,1-b][1,4]oxazin-2-olNS00052269
Database identifiers
- CAS
14847-35-9- PubChem CID
- 84665
- DTXSID
DTXSID70933417- EC Number
- 238-907-0
- Nikkaji
- J227.209A
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 266
Physicochemical properties
- Boiling point
- 443 · 443.0±34.0 °C(Predicted)
- Density
- 1.293 · 1.293±0.06 g/cm3(Predicted)
- pka
- 13.41 · 13.41±0.20(Predicted)
Chemistry & industry
Suppliers3 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 400-867-5858;400-867-5858 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
5 records
Linked notes
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