Home Nitriles 4-acetyl-3-(cyclopropylmethoxy)benzonitrile

4-acetyl-3-(cyclopropylmethoxy)benzonitrile

CAS No.:
1566804-08-7
Catalog Number:
AG01BE58
Molecular Formula:
C13H13NO2
Molecular Weight:
215.2478
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Product Description
Catalog Number:
AG01BE58
Chemical Name:
4-acetyl-3-(cyclopropylmethoxy)benzonitrile
CAS Number:
1566804-08-7
Molecular Formula:
C13H13NO2
Molecular Weight:
215.2478
MDL Number:
MFCD26810923
IUPAC Name:
4-acetyl-3-(cyclopropylmethoxy)benzonitrile
InChI:
InChI=1S/C13H13NO2/c1-9(15)12-5-4-11(7-14)6-13(12)16-8-10-2-3-10/h4-6,10H,2-3,8H2,1H3
InChI Key:
HBKZAGUPMHRMKA-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(c(c1)OCC1CC1)C(=O)C
Properties
Complexity:
313  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.095g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
215.252g/mol
Monoisotopic Mass:
215.095g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties