Basic information
- CAS
68434-51-5- Standard SMILES
N#Cc1ccc(C=C2CCc3ccccc3C2=O)cc1- InChIKey
MENDGUCJODVXAP-UHFFFAOYSA-N- Molecular formula
- C18H13NO
- Average molar mass
- 259.3 g/mol
- Monoisotopic mass
- 259.09971404
Names & identifiers
- Preferred name
- Benzonitrile, 4-[(3,4-dihydro-1-oxo-2(1H)-naphthalenylidene)methyl]-
- IUPAC
- 4-[(1-oxo-3,4-dihydronaphthalen-2-ylidene)methyl]benzonitrile
- English name
- 4-[(1-oxo-3,4-dihydronaphthalen-2-ylidene)methyl]benzonitrile
- Molecular formula
- C18H13NO
- Molecular weight
- 259.3
Names & synonyms
68434-51-5Benzonitrile, 4-[(3,4-dihydro-1-oxo-2(1H)-naphthalenylidene)methyl]-4-[(1-oxo-3,4-dihydronaphthalen-2-ylidene)methyl]benzonitrile4-((1-oxo-3,4-Dihydronaphthalen-2(1H)-ylidene)methyl)benzonitrile4-[(1-oxo-3,4-dihydronaphthalen-2(1H)-ylidene)methyl]benzonitrileDTXSID50327193AKOS030229271DS-0012924-[(3,4-Dihydro-1-oxo-2(1h)-naphthalenylidene)methyl]benzonitrile
Database identifiers
- CAS
68434-51-5- PubChem CID
- 367228
- DTXSID
DTXSID50327193
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 40.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 447
Physicochemical properties
- Boiling point
- 473.1 · 473.1±45.0 °C(Predicted)
- Density
- 1.21 · 1.21±0.1 g/cm3(Predicted)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers7 total
广东翁江化学试剂有限公司0751-2886750 13927877953 · [email protected]
武汉赢元贝商贸有限公司86-13349903920 13349903920 · [email protected]
career henan chemical co+86-0371-86658258 · [email protected]
海蔚化学86-21-51086038 · [email protected]
爆牛贸易重庆有限公司+86-023-6139-8061 +86-86-13650506873 · [email protected]
武汉赢元贝商贸有限公司13349903920 · [email protected]
CD Chemical Group Limited+86-13651442114 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…