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918884-77-2 | Isoxazole, 5-(2-methylphenyl)-
CAS No: 918884-77-2 Catalog No: AG006ANP MDL No:MFCD21184494
Product Description
Catalog Number:
AG006ANP
Chemical Name:
Isoxazole, 5-(2-methylphenyl)-
CAS Number:
918884-77-2
Molecular Formula:
C10H9NO
Molecular Weight:
159.1846
MDL Number:
MFCD21184494
IUPAC Name:
5-(2-methylphenyl)-1,2-oxazole
InChI:
InChI=1S/C10H9NO/c1-8-4-2-3-5-9(8)10-6-7-11-12-10/h2-7H,1H3
InChI Key:
WERCTINZKABLHU-UHFFFAOYSA-N
SMILES:
Cc1ccccc1c1ccno1
Properties
Complexity:
149
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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