Basic information
- CAS
232-95-1- Standard SMILES
c1ccc2c(c1)ccc1occc12- InChIKey
MFMVRILBADIIJO-UHFFFAOYSA-N- Molecular formula
- C12H8O
- Average molar mass
- 168.19 g/mol
- Monoisotopic mass
- 168.05751487
Overview
structure in first source
Names & identifiers
- Preferred name
- Naphtho(2,1-b)furan
- IUPAC
- benzo[e][1]benzofuran
- English name
- naphtho[2,1-b]furan
- Molecular formula
- C12H8O
- Molecular weight
- 168.19
Names & synonyms
Naphtho[2,1-b]furan232-95-1NAPHTHO(2,1-b)FURAN5O098D6W4TDTXSID30177779RefChem:164714DTXCID40100270205-938-6benzo[e][1]benzofurannaphthofuranR 72163-Oxa-3H-benz[e]indene
Show more names
benzo[e]benzofuran
3-OXA-3H-BENZ(E)INDENEEINECS 205-938-6BRN 0121245UNII-5O098D6W4TSCHEMBL420462SCHEMBL1743355SCHEMBL2518542SCHEMBL30716378
Database identifiers
- CAS
232-95-1- PubChem CID
- 9192
- DTXSID
DTXSID30177779- UNII
- 5O098D6W4T
- EC Number
- 205-938-6
- Nikkaji
- J100.306B
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 13.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 190
Physicochemical properties
- Melting point
- 61 · 61-69 °C(Solv: methanol (67-56-1))
- Boiling point
- 285 · 285.0±0.0 °C(Predicted)
- Density
- 1 · 1+-.0.06 g/cm3(Predicted)
- FDA UNII
- 5 O098D6W4T · 5O098D6W4T
Chemistry & industry
Suppliers5 total
Shanghai Hanhong Scientific Co., Ltd.+undefined17612118332 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
河南威梯希化工科技有限公司0371-53370800 18037197114 · [email protected]
河南天孚化工有限公司+86-0371-55170693 +86-19937530512 · [email protected]
上海固帮新材料科技有限公司021-51317962 · [email protected]
Related reactions
1 records
Compound notes
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