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Home > Pyridines > 1037131-17-1
1037131-17-1 | 2-(tert-butoxy)pyridine-4-carbonitrile
CAS No: 1037131-17-1 Catalog No: AG01A3TY MDL No:MFCD11196883
Product Description
Catalog Number:
AG01A3TY
Chemical Name:
2-(tert-butoxy)pyridine-4-carbonitrile
CAS Number:
1037131-17-1
Molecular Formula:
C10H12N2O
Molecular Weight:
176.2151
MDL Number:
MFCD11196883
IUPAC Name:
2-[(2-methylpropan-2-yl)oxy]pyridine-4-carbonitrile
InChI:
InChI=1S/C10H12N2O/c1-10(2,3)13-9-6-8(7-11)4-5-12-9/h4-6H,1-3H3
InChI Key:
MRKGWHOKZRAFEQ-UHFFFAOYSA-N
SMILES:
N#Cc1ccnc(c1)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
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