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950069-99-5 | 2-[2-(4-methylphenyl)-1,3-oxazol-4-yl]acetonitrile
CAS No: 950069-99-5 Catalog No: AG019L3D MDL No:MFCD09802197
Product Description
Catalog Number:
AG019L3D
Chemical Name:
2-[2-(4-methylphenyl)-1,3-oxazol-4-yl]acetonitrile
CAS Number:
950069-99-5
Molecular Formula:
C12H10N2O
Molecular Weight:
198.2206
MDL Number:
MFCD09802197
IUPAC Name:
2-[2-(4-methylphenyl)-1,3-oxazol-4-yl]acetonitrile
InChI:
InChI=1S/C12H10N2O/c1-9-2-4-10(5-3-9)12-14-11(6-7-13)8-15-12/h2-5,8H,6H2,1H3
InChI Key:
XWAODXJZIFRTER-UHFFFAOYSA-N
SMILES:
N#CCc1coc(n1)c1ccc(cc1)C
Properties
Complexity:
250
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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