Basic information
- CAS
70978-62-0- Standard SMILES
CCC(=O)Oc1ccc(C#N)cc1- InChIKey
FVOSOTJKWPDYBK-UHFFFAOYSA-N- Molecular formula
- C10H9NO2
- Average molar mass
- 175.18 g/mol
- Monoisotopic mass
- 175.06332853
Names & identifiers
- Preferred name
- 4-(1-Oxopropoxy)benzonitrile
- IUPAC
- (4-cyanophenyl) propanoate
- English name
- 4-(1-oxopropoxy)benzonitrile
- Molecular formula
- C10H9NO2
- Molecular weight
- 175.18
Names & synonyms
4-(1-Oxopropoxy)benzonitrile70978-62-04-cyanophenyl propionateEINECS 275-080-54-CYANOPHENYL PROPANOATEBenzonitrile,4-(1-oxopropoxy)-SCHEMBL7039270DTXSID00991282benzonitrile, 4-(1-oxopropoxy)-NS00063031InChI=1/C10H9NO2/c1-2-10(12)13-9-5-3-8(7-11)4-6-9/h3-6H,2H2,1HPropanoic acid 4-cyanophenyl ester
Database identifiers
- CAS
70978-62-0- PubChem CID
- 643285
- DTXSID
DTXSID00991282- EC Number
- 275-080-5
- Nikkaji
- J288.718E
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 50.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 220
Physicochemical properties
- Boiling point
- 295.3 · 295.3±23.0 °C(Predicted)
- Density
- 1.14 · 1.14±0.1 g/cm3(Predicted)
Chemistry & industry
Suppliers1 total
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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