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23244-34-0 | Isoxazole, 5-ethoxy-3-phenyl-
CAS No: 23244-34-0 Catalog No: AG002MNS MDL No:MFCD00970875
Product Description
Catalog Number:
AG002MNS
Chemical Name:
Isoxazole, 5-ethoxy-3-phenyl-
CAS Number:
23244-34-0
Molecular Formula:
C11H11NO2
Molecular Weight:
189.2105
MDL Number:
MFCD00970875
IUPAC Name:
5-ethoxy-3-phenyl-1,2-oxazole
InChI:
InChI=1S/C11H11NO2/c1-2-13-11-8-10(12-14-11)9-6-4-3-5-7-9/h3-8H,2H2,1H3
InChI Key:
RVSCJHGFZGYFJZ-UHFFFAOYSA-N
SMILES:
CCOc1onc(c1)c1ccccc1
Properties
Complexity:
169
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:
0
Isotope Atom Count:
0
Molecular Weight:
189.214g/mol
Monoisotopic Mass:
189.079g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
35.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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