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3-propoxybenzonitrile

CAS No.:
467462-55-1
Catalog Number:
AG019WV2
Molecular Formula:
C10H11NO
Molecular Weight:
161.2004
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Product Description
Catalog Number:
AG019WV2
Chemical Name:
3-propoxybenzonitrile
CAS Number:
467462-55-1
Molecular Formula:
C10H11NO
Molecular Weight:
161.2004
MDL Number:
MFCD09703612
IUPAC Name:
3-propoxybenzonitrile
InChI:
InChI=1S/C10H11NO/c1-2-6-12-10-5-3-4-9(7-10)8-11/h3-5,7H,2,6H2,1H3
InChI Key:
BVVMPMWDXLECHD-UHFFFAOYSA-N
SMILES:
CCCOc1cccc(c1)C#N
Properties
Complexity:
170  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.084g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
161.204g/mol
Monoisotopic Mass:
161.084g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties