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113850-52-5 | 5(4H)-Oxazolone, 2-phenyl-4-(2(1H)-quinolinylidene)-, (E)- (9CI)
CAS No: 113850-52-5 Catalog No: AG0009WV MDL No:
Product Description
Catalog Number:
AG0009WV
Chemical Name:
5(4H)-Oxazolone, 2-phenyl-4-(2(1H)-quinolinylidene)-, (E)- (9CI)
CAS Number:
113850-52-5
Molecular Formula:
C18H12N2O2
Molecular Weight:
288.3001
IUPAC Name:
2-phenyl-4-quinolin-2-yl-1,3-oxazol-5-ol
InChI:
InChI=1S/C18H12N2O2/c21-18-16(20-17(22-18)13-7-2-1-3-8-13)15-11-10-12-6-4-5-9-14(12)19-15/h1-11,21H
InChI Key:
IBOXBJQRMFDANB-UHFFFAOYSA-N
SMILES:
O=C1OC(=N/C/1=c/1\ccc2c([nH]1)cccc2)c1ccccc1
Properties
Complexity:
372
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.09g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
288.306g/mol
Monoisotopic Mass:
288.09g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
59.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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