Home Nitriles Benzonitrile, 4-(1-methylpropoxy)-

Benzonitrile, 4-(1-methylpropoxy)-

CAS No.:
86120-21-0
Catalog Number:
AG00IDX0
Molecular Formula:
C11H13NO
Molecular Weight:
175.2270
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Product Description
Catalog Number:
AG00IDX0
Chemical Name:
Benzonitrile, 4-(1-methylpropoxy)-
CAS Number:
86120-21-0
Molecular Formula:
C11H13NO
Molecular Weight:
175.2270
MDL Number:
MFCD09859750
IUPAC Name:
4-butan-2-yloxybenzonitrile
InChI:
InChI=1S/C11H13NO/c1-3-9(2)13-11-6-4-10(8-12)5-7-11/h4-7,9H,3H2,1-2H3
InChI Key:
IYVGOEZASWQQOB-UHFFFAOYSA-N
SMILES:
CCC(Oc1ccc(cc1)C#N)C
Properties
Complexity:
186  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.1g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
175.231g/mol
Monoisotopic Mass:
175.1g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties