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88226-26-0 | Ethanone, 1-[4-(4,5-dihydro-3-isoxazolyl)phenyl]-
CAS No: 88226-26-0 Catalog No: AG004D1L MDL No:
Product Description
Catalog Number:
AG004D1L
Chemical Name:
Ethanone, 1-[4-(4,5-dihydro-3-isoxazolyl)phenyl]-
CAS Number:
88226-26-0
Molecular Formula:
C11H11NO2
Molecular Weight:
189.2105
IUPAC Name:
1-[4-(4,5-dihydro-1,2-oxazol-3-yl)phenyl]ethanone
InChI:
InChI=1S/C11H11NO2/c1-8(13)9-2-4-10(5-3-9)11-6-7-14-12-11/h2-5H,6-7H2,1H3
InChI Key:
IAOLLMKCMGMWIV-UHFFFAOYSA-N
SMILES:
CC(=O)c1ccc(cc1)C1=NOCC1
Properties
Complexity:
252
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:
2
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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