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35166-41-7 | (5-methyl-3-isoxazolyl)acetonitrile
CAS No: 35166-41-7 Catalog No: AG00C8GV MDL No:MFCD09909633
Product Description
Catalog Number:
AG00C8GV
Chemical Name:
(5-methyl-3-isoxazolyl)acetonitrile
CAS Number:
35166-41-7
Molecular Formula:
C6H6N2O
Molecular Weight:
122.1246
MDL Number:
MFCD09909633
IUPAC Name:
2-(5-methyl-1,2-oxazol-3-yl)acetonitrile
InChI:
InChI=1S/C6H6N2O/c1-5-4-6(2-3-7)8-9-5/h4H,2H2,1H3
InChI Key:
FMCBKOOPDBRCGZ-UHFFFAOYSA-N
SMILES:
Cc1cc(no1)CC#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:
0.5
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