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113396-34-2 | Oxazolo[4,5-h]quinoline, 2-(4-phenyl-1,3-butadien-1-yl)-
CAS No: 113396-34-2 Catalog No: AG0008F5 MDL No:
Product Description
Catalog Number:
AG0008F5
Chemical Name:
Oxazolo[4,5-h]quinoline, 2-(4-phenyl-1,3-butadien-1-yl)-
CAS Number:
113396-34-2
Molecular Formula:
C20H14N2O
Molecular Weight:
298.3380
IUPAC Name:
2-(4-phenylbuta-1,3-dienyl)-[1,3]oxazolo[4,5-h]quinoline
InChI:
InChI=1S/C20H14N2O/c1-2-7-15(8-3-1)9-4-5-11-18-22-17-13-12-16-10-6-14-21-19(16)20(17)23-18/h1-14H
InChI Key:
FJCKPRAYGWDHNM-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)C=CC=Cc1nc2c(o1)c1ncccc1cc2
Properties
Complexity:
441
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.111g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
298.345g/mol
Monoisotopic Mass:
298.111g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
38.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
5
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