Home Nitriles 4-(5-formyl-2-methoxyphenoxy)butanenitrile

4-(5-formyl-2-methoxyphenoxy)butanenitrile

CAS No.:
1016842-76-4
Catalog Number:
AG01A83F
Molecular Formula:
C12H13NO3
Molecular Weight:
219.2365
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01A83F
Chemical Name:
4-(5-formyl-2-methoxyphenoxy)butanenitrile
CAS Number:
1016842-76-4
Molecular Formula:
C12H13NO3
Molecular Weight:
219.2365
MDL Number:
MFCD09947988
IUPAC Name:
4-(5-formyl-2-methoxyphenoxy)butanenitrile
InChI:
InChI=1S/C12H13NO3/c1-15-11-5-4-10(9-14)8-12(11)16-7-3-2-6-13/h4-5,8-9H,2-3,7H2,1H3
InChI Key:
FJHRBOQTQGXTGF-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1OCCCC#N)C=O
Properties
Complexity:
258  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.09g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
219.24g/mol
Monoisotopic Mass:
219.09g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
59.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties