Home Nitriles 3-isopropoxybenzonitrile

3-isopropoxybenzonitrile

CAS No.:
363185-45-9
Catalog Number:
AG00CLBV
Molecular Formula:
C10H11NO
Molecular Weight:
161.2004
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Product Description
Catalog Number:
AG00CLBV
Chemical Name:
3-isopropoxybenzonitrile
CAS Number:
363185-45-9
Molecular Formula:
C10H11NO
Molecular Weight:
161.2004
MDL Number:
MFCD09933572
IUPAC Name:
3-propan-2-yloxybenzonitrile
InChI:
InChI=1S/C10H11NO/c1-8(2)12-10-5-3-4-9(6-10)7-11/h3-6,8H,1-2H3
InChI Key:
OYUCWSBVVRRERP-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1)OC(C)C
Properties
Complexity:
180  
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:
2  
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties