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89338-10-3 | 2(3H)-Oxazolone, 3-acetyl-5-[(10-methoxy-9-phenanthrenyl)oxy]-
CAS No: 89338-10-3 Catalog No: AG003ZED MDL No:
Product Description
Catalog Number:
AG003ZED
Chemical Name:
2(3H)-Oxazolone, 3-acetyl-5-[(10-methoxy-9-phenanthrenyl)oxy]-
CAS Number:
89338-10-3
Molecular Formula:
C20H15NO5
Molecular Weight:
349.3368
IUPAC Name:
3-acetyl-5-(10-methoxyphenanthren-9-yl)oxy-1,3-oxazol-2-one
InChI:
InChI=1S/C20H15NO5/c1-12(22)21-11-17(26-20(21)23)25-19-16-10-6-4-8-14(16)13-7-3-5-9-15(13)18(19)24-2/h3-11H,1-2H3
InChI Key:
JPZLRAQSVGCJDL-UHFFFAOYSA-N
SMILES:
COc1c(Oc2oc(=O)n(c2)C(=O)C)c2ccccc2c2c1cccc2
Properties
Complexity:
603
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
349.095g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
349.342g/mol
Monoisotopic Mass:
349.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
65.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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