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7064-35-9 | 5-(p-Tolyl);isoxazole
CAS No: 7064-35-9 Catalog No: AG005H73 MDL No:MFCD00030520
Product Description
Catalog Number:
AG005H73
Chemical Name:
5-(p-Tolyl);isoxazole
CAS Number:
7064-35-9
Molecular Formula:
C10H9NO
Molecular Weight:
159.1846
MDL Number:
MFCD00030520
IUPAC Name:
5-(4-methylphenyl)-1,2-oxazole
InChI:
InChI=1S/C10H9NO/c1-8-2-4-9(5-3-8)10-6-7-11-12-10/h2-7H,1H3
InChI Key:
BJVLLTZZYAWHGW-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)c1ccno1
NSC Number:
111918
Properties
Complexity:
141
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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