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71977-24-7 | 5(4H)-Oxazolone, 2-(4-methylphenyl)-4-(1-pyrenylmethylene)-
CAS No: 71977-24-7 Catalog No: AG005OBR MDL No:
Product Description
Catalog Number:
AG005OBR
Chemical Name:
5(4H)-Oxazolone, 2-(4-methylphenyl)-4-(1-pyrenylmethylene)-
CAS Number:
71977-24-7
Molecular Formula:
C27H17NO2
Molecular Weight:
387.4294
IUPAC Name:
2-(4-methylphenyl)-4-(pyren-1-ylmethylidene)-1,3-oxazol-5-one
InChI:
InChI=1S/C27H17NO2/c1-16-5-7-20(8-6-16)26-28-23(27(29)30-26)15-21-12-11-19-10-9-17-3-2-4-18-13-14-22(21)25(19)24(17)18/h2-15H,1H3
InChI Key:
GTPGIRHZGADQRQ-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)C1=NC(=Cc2ccc3c4c2ccc2c4c(cc3)ccc2)C(=O)O1
Properties
Complexity:
746
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
387.126g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
387.438g/mol
Monoisotopic Mass:
387.126g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
7
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