Home Nitriles 2-(butan-2-yloxy)pyridine-4-carbonitrile

2-(butan-2-yloxy)pyridine-4-carbonitrile

CAS No.:
1249490-07-0
Catalog Number:
AG01A4UT
Molecular Formula:
C10H12N2O
Molecular Weight:
176.2151
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Product Description
Catalog Number:
AG01A4UT
Chemical Name:
2-(butan-2-yloxy)pyridine-4-carbonitrile
CAS Number:
1249490-07-0
Molecular Formula:
C10H12N2O
Molecular Weight:
176.2151
MDL Number:
MFCD16044002
IUPAC Name:
2-butan-2-yloxypyridine-4-carbonitrile
InChI:
InChI=1S/C10H12N2O/c1-3-8(2)13-10-6-9(7-11)4-5-12-10/h4-6,8H,3H2,1-2H3
InChI Key:
PRGOOZYYBRKHKN-UHFFFAOYSA-N
SMILES:
CC(Oc1cc(ccn1)C#N)CC
Properties
Complexity:
196  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.095g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
176.219g/mol
Monoisotopic Mass:
176.095g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
45.9A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties