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158021-09-1 | 3-cyclobutoxyisonicotinonitrile
CAS No: 158021-09-1 Catalog No: AG01FM1U MDL No:MFCD24159006
Product Description
Catalog Number:
AG01FM1U
Chemical Name:
3-cyclobutoxyisonicotinonitrile
CAS Number:
158021-09-1
Molecular Formula:
C10H10N2O
Molecular Weight:
174.1992
MDL Number:
MFCD24159006
IUPAC Name:
3-cyclobutyloxypyridine-4-carbonitrile
InChI:
InChI=1S/C10H10N2O/c11-6-8-4-5-12-7-10(8)13-9-2-1-3-9/h4-5,7,9H,1-3H2
InChI Key:
IYPYMGKVMJGLSX-UHFFFAOYSA-N
SMILES:
N#Cc1ccncc1OC1CCC1
Properties
Complexity:
216
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:
45.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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