Home Nitriles 2-(3-methyl-1,2-oxazol-4-yl)acetonitrile

2-(3-methyl-1,2-oxazol-4-yl)acetonitrile

CAS No.:
1934911-96-2
Catalog Number:
AG01C5DW
Molecular Formula:
C6H6N2O
Molecular Weight:
122.1246
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Product Description
Catalog Number:
AG01C5DW
Chemical Name:
2-(3-methyl-1,2-oxazol-4-yl)acetonitrile
CAS Number:
1934911-96-2
Molecular Formula:
C6H6N2O
Molecular Weight:
122.1246
MDL Number:
MFCD28549688
IUPAC Name:
2-(3-methyl-1,2-oxazol-4-yl)acetonitrile
InChI:
InChI=1S/C6H6N2O/c1-5-6(2-3-7)4-9-8-5/h4H,2H2,1H3
InChI Key:
NHAWBTBXIOOVKO-UHFFFAOYSA-N
SMILES:
Cc1nocc1CC#N
Properties
Complexity:
137  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
122.048g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
122.127g/mol
Monoisotopic Mass:
122.048g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  
Properties