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524959-64-6 | 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetonitrile
CAS No: 524959-64-6 Catalog No: AG019KCZ MDL No:MFCD08691340
Product Description
Catalog Number:
AG019KCZ
Chemical Name:
2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetonitrile
CAS Number:
524959-64-6
Molecular Formula:
C12H10N2O
Molecular Weight:
198.2206
MDL Number:
MFCD08691340
IUPAC Name:
2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetonitrile
InChI:
InChI=1S/C12H10N2O/c1-9-11(7-8-13)14-12(15-9)10-5-3-2-4-6-10/h2-6H,7H2,1H3
InChI Key:
ONGPDHWUKNYNRF-UHFFFAOYSA-N
SMILES:
N#CCc1nc(oc1C)c1ccccc1
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.079g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
198.225g/mol
Monoisotopic Mass:
198.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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