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288401-58-1 | Phenol, 4-ethyl-2-(5-isoxazolyl)-
CAS No: 288401-58-1 Catalog No: AG002WRU MDL No:
Product Description
Catalog Number:
AG002WRU
Chemical Name:
Phenol, 4-ethyl-2-(5-isoxazolyl)-
CAS Number:
288401-58-1
Molecular Formula:
C11H11NO2
Molecular Weight:
189.2105
IUPAC Name:
4-ethyl-2-(1,2-oxazol-5-yl)phenol
InChI:
InChI=1S/C11H11NO2/c1-2-8-3-4-10(13)9(7-8)11-5-6-12-14-11/h3-7,13H,2H2,1H3
InChI Key:
BKRLVMRPFAOJRE-UHFFFAOYSA-N
SMILES:
CCc1ccc(c(c1)c1ccno1)O
Properties
Complexity:
186
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.079g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
189.214g/mol
Monoisotopic Mass:
189.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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