Home Nitriles 2-(4-Isopropoxy-3-Methoxyphenyl)acetonitrile

2-(4-Isopropoxy-3-Methoxyphenyl)acetonitrile

CAS No.:
861069-45-6
Catalog Number:
AG004P37
Molecular Formula:
C12H15NO2
Molecular Weight:
205.2530
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Product Description
Catalog Number:
AG004P37
Chemical Name:
2-(4-Isopropoxy-3-Methoxyphenyl)acetonitrile
CAS Number:
861069-45-6
Molecular Formula:
C12H15NO2
Molecular Weight:
205.2530
MDL Number:
MFCD18072909
IUPAC Name:
2-(3-methoxy-4-propan-2-yloxyphenyl)acetonitrile
InChI:
InChI=1S/C12H15NO2/c1-9(2)15-11-5-4-10(6-7-13)8-12(11)14-3/h4-5,8-9H,6H2,1-3H3
InChI Key:
QNDYSZLZQUROSI-UHFFFAOYSA-N
SMILES:
N#CCc1ccc(c(c1)OC)OC(C)C
Properties
Complexity:
231  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.11g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
205.257g/mol
Monoisotopic Mass:
205.11g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties