Home Nitriles 6-(tert-butoxy)pyridine-3-carbonitrile

6-(tert-butoxy)pyridine-3-carbonitrile

CAS No.:
435273-36-2
Catalog Number:
AG01A2PK
Molecular Formula:
C10H12N2O
Molecular Weight:
176.2151
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Product Description
Catalog Number:
AG01A2PK
Chemical Name:
6-(tert-butoxy)pyridine-3-carbonitrile
CAS Number:
435273-36-2
Molecular Formula:
C10H12N2O
Molecular Weight:
176.2151
MDL Number:
MFCD11196882
IUPAC Name:
6-[(2-methylpropan-2-yl)oxy]pyridine-3-carbonitrile
InChI:
InChI=1S/C10H12N2O/c1-10(2,3)13-9-5-4-8(6-11)7-12-9/h4-5,7H,1-3H3
InChI Key:
BQRIHOKZPGJPDC-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(nc1)OC(C)(C)C
Properties
Complexity:
211  
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:
2  
Topological Polar Surface Area:
45.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties