Home Nitriles 2-cyclobutyl-1,3-oxazole-4-carbonitrile

2-cyclobutyl-1,3-oxazole-4-carbonitrile

CAS No.:
1190314-22-7
Catalog Number:
AG01BOAU
Molecular Formula:
C8H8N2O
Molecular Weight:
148.1619
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Product Description
Catalog Number:
AG01BOAU
Chemical Name:
2-cyclobutyl-1,3-oxazole-4-carbonitrile
CAS Number:
1190314-22-7
Molecular Formula:
C8H8N2O
Molecular Weight:
148.1619
MDL Number:
MFCD12962563
IUPAC Name:
2-cyclobutyl-1,3-oxazole-4-carbonitrile
InChI:
InChI=1S/C8H8N2O/c9-4-7-5-11-8(10-7)6-2-1-3-6/h5-6H,1-3H2
InChI Key:
PPTIBEWTHCSDKA-UHFFFAOYSA-N
SMILES:
N#Cc1coc(n1)C1CCC1
Properties
Complexity:
192  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
148.064g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
148.165g/mol
Monoisotopic Mass:
148.064g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties