Home Nitriles 3-Formyl-2-methoxybenzonitrile

3-Formyl-2-methoxybenzonitrile

CAS No.:
21962-48-1
Catalog Number:
AG01E3SW
Molecular Formula:
C9H7NO2
Molecular Weight:
161.1574
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Product Description
Catalog Number:
AG01E3SW
Chemical Name:
3-Formyl-2-methoxybenzonitrile
CAS Number:
21962-48-1
Molecular Formula:
C9H7NO2
Molecular Weight:
161.1574
MDL Number:
MFCD18394184
IUPAC Name:
3-formyl-2-methoxybenzonitrile
InChI:
InChI=1S/C9H7NO2/c1-12-9-7(5-10)3-2-4-8(9)6-11/h2-4,6H,1H3
InChI Key:
ZTLGJHMOOMMZDE-UHFFFAOYSA-N
SMILES:
O=Cc1cccc(c1OC)C#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:
1.1  
Properties