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87352-12-3 | 5-Isoxazolecarbonitrile, 2,3-dihydro-2-methyl-3-phenyl-
CAS No: 87352-12-3 Catalog No: AG004KSE MDL No:
Product Description
Catalog Number:
AG004KSE
Chemical Name:
5-Isoxazolecarbonitrile, 2,3-dihydro-2-methyl-3-phenyl-
CAS Number:
87352-12-3
Molecular Formula:
C11H10N2O
Molecular Weight:
186.2099
IUPAC Name:
2-methyl-3-phenyl-3H-1,2-oxazole-5-carbonitrile
InChI:
InChI=1S/C11H10N2O/c1-13-11(7-10(8-12)14-13)9-5-3-2-4-6-9/h2-7,11H,1H3
InChI Key:
AOVXUMQHSJAERB-UHFFFAOYSA-N
SMILES:
CN1OC(=CC1c1ccccc1)C#N
Properties
Complexity:
283
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.079g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
186.214g/mol
Monoisotopic Mass:
186.079g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
36.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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