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88351-57-9 | 5(4H)-Oxazolone, 2-(1,1-dimethylethyl)-4-(1-pyrenylmethylene)-
CAS No: 88351-57-9 Catalog No: AG0046UB MDL No:
Product Description
Catalog Number:
AG0046UB
Chemical Name:
5(4H)-Oxazolone, 2-(1,1-dimethylethyl)-4-(1-pyrenylmethylene)-
CAS Number:
88351-57-9
Molecular Formula:
C24H19NO2
Molecular Weight:
353.4132
IUPAC Name:
2-tert-butyl-4-(pyren-1-ylmethylidene)-1,3-oxazol-5-one
InChI:
InChI=1S/C24H19NO2/c1-24(2,3)23-25-19(22(26)27-23)13-17-10-9-16-8-7-14-5-4-6-15-11-12-18(17)21(16)20(14)15/h4-13H,1-3H3
InChI Key:
XWKKKRDBHQTGQI-UHFFFAOYSA-N
SMILES:
O=C1OC(=NC1=Cc1ccc2c3c1ccc1c3c(cc2)ccc1)C(C)(C)C
Properties
Complexity:
685
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
353.142g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
353.421g/mol
Monoisotopic Mass:
353.142g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
6.4
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