Home Nitriles 3-propionylbenzonitrile

3-propionylbenzonitrile

CAS No.:
50916-34-2
Catalog Number:
AG00DJDG
Molecular Formula:
C10H9NO
Molecular Weight:
159.1846
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Product Description
Catalog Number:
AG00DJDG
Chemical Name:
3-propionylbenzonitrile
CAS Number:
50916-34-2
Molecular Formula:
C10H9NO
Molecular Weight:
159.1846
MDL Number:
MFCD09055064
IUPAC Name:
3-propanoylbenzonitrile
InChI:
InChI=1S/C10H9NO/c1-2-10(12)9-5-3-4-8(6-9)7-11/h3-6H,2H2,1H3
InChI Key:
RQNDMQXNIOALFA-UHFFFAOYSA-N
SMILES:
CCC(=O)c1cccc(c1)C#N
Properties
Complexity:
213  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
159.068g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
159.188g/mol
Monoisotopic Mass:
159.068g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
40.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties