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1008-75-9 | Isoxazole, 3-methyl-5-phenyl-
CAS No: 1008-75-9 Catalog No: AG0002XC MDL No:MFCD00020810
Product Description
Catalog Number:
AG0002XC
Chemical Name:
Isoxazole, 3-methyl-5-phenyl-
CAS Number:
1008-75-9
Molecular Formula:
C10H9NO
Molecular Weight:
159.1846
MDL Number:
MFCD00020810
IUPAC Name:
3-methyl-5-phenyl-1,2-oxazole
InChI:
InChI=1S/C10H9NO/c1-8-7-10(12-11-8)9-5-3-2-4-6-9/h2-7H,1H3
InChI Key:
FBYQIYSAUFWXQK-UHFFFAOYSA-N
SMILES:
Cc1noc(c1)c1ccccc1
NSC Number:
80670
Properties
Complexity:
143
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
159.068g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
159.188g/mol
Monoisotopic Mass:
159.068g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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