Home Nitriles 4-(dimethylamino)-3-formylbenzonitrile

4-(dimethylamino)-3-formylbenzonitrile

CAS No.:
1289200-50-5
Catalog Number:
AG01C01Z
Molecular Formula:
C10H10N2O
Molecular Weight:
174.1992
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Product Description
Catalog Number:
AG01C01Z
Chemical Name:
4-(dimethylamino)-3-formylbenzonitrile
CAS Number:
1289200-50-5
Molecular Formula:
C10H10N2O
Molecular Weight:
174.1992
MDL Number:
MFCD29119661
IUPAC Name:
4-(dimethylamino)-3-formylbenzonitrile
InChI:
InChI=1S/C10H10N2O/c1-12(2)10-4-3-8(6-11)5-9(10)7-13/h3-5,7H,1-2H3
InChI Key:
SWNJUFXEMPKNPP-UHFFFAOYSA-N
SMILES:
O=Cc1cc(C#N)ccc1N(C)C
Properties
Complexity:
228  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.079g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
174.203g/mol
Monoisotopic Mass:
174.079g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties