3-(3-Methoxyphenoxy)propanenitrile
Basic information
- CAS
6279-84-1- Standard SMILES
COc1cccc(OCCC#N)c1- InChIKey
FUGAVKXXJLPDPT-UHFFFAOYSA-N- Molecular formula
- C10H11NO2
- Average molar mass
- 177.2 g/mol
- Monoisotopic mass
- 177.07897859
Names & identifiers
- Preferred name
- 3-(3-Methoxyphenoxy)propanenitrile
- IUPAC
- 3-(3-methoxyphenoxy)propanenitrile
- English name
- 3-(3-methoxyphenoxy)propanenitrile
- Molecular formula
- C10H11NO2
- Molecular weight
- 177.2
Names & synonyms
3-(3-methoxyphenoxy)propanenitrile6279-84-1MFCD00598421NSC11002SCHEMBL9044971DTXSID90279001NSC-11002NSC408756AKOS000170843NSC-408756AS-61917SY123389
Show more names
Propanenitrile, 3-(3-methoxyphenoxy)-
CS-0046894W10835
Database identifiers
- CAS
6279-84-1- PubChem CID
- 223383
- DTXSID
DTXSID90279001
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 42.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 185
Physicochemical properties
- Melting point
- 29.5 · 29.5-30.5 °C
- Boiling point
- 145 · 145-146 °C(Press: 3 Torr)
- Density
- 1.081 · 1.081±0.06 g/cm3(Predicted)
- HS Code
- 2926907090 · 2926907090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2926907090
Chemistry & industry
Upstream & downstream products
Upstream raw materials
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Related reactions
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Compound notes
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