Home Nitriles 4-ForMyl-2-Methoxybenzonitrile

4-ForMyl-2-Methoxybenzonitrile

CAS No.:
21962-49-2
Catalog Number:
AG00BINE
Molecular Formula:
C9H7NO2
Molecular Weight:
161.1574
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Product Description
Catalog Number:
AG00BINE
Chemical Name:
4-ForMyl-2-Methoxybenzonitrile
CAS Number:
21962-49-2
Molecular Formula:
C9H7NO2
Molecular Weight:
161.1574
MDL Number:
MFCD16295254
IUPAC Name:
4-formyl-2-methoxybenzonitrile
InChI:
InChI=1S/C9H7NO2/c1-12-9-4-7(6-11)2-3-8(9)5-10/h2-4,6H,1H3
InChI Key:
RIKJENUWHKDHIW-UHFFFAOYSA-N
SMILES:
COc1cc(C=O)ccc1C#N
Properties
Complexity:
206  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.048g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
161.16g/mol
Monoisotopic Mass:
161.048g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties