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71977-18-9 | 5(4H)-Oxazolone, 2-phenyl-4-(1-pyrenylmethylene)-
CAS No: 71977-18-9 Catalog No: AG005ORZ MDL No:
Product Description
Catalog Number:
AG005ORZ
Chemical Name:
5(4H)-Oxazolone, 2-phenyl-4-(1-pyrenylmethylene)-
CAS Number:
71977-18-9
Molecular Formula:
C26H15NO2
Molecular Weight:
373.4028
IUPAC Name:
2-phenyl-4-(pyren-1-ylmethylidene)-1,3-oxazol-5-one
InChI:
InChI=1S/C26H15NO2/c28-26-22(27-25(29-26)19-5-2-1-3-6-19)15-20-12-11-18-10-9-16-7-4-8-17-13-14-21(20)24(18)23(16)17/h1-15H
InChI Key:
XICYUEHWHBXHBV-UHFFFAOYSA-N
SMILES:
O=C1OC(=NC1=Cc1ccc2c3c1ccc1c3c(cc2)ccc1)c1ccccc1
Properties
Complexity:
718
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
373.11g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
373.411g/mol
Monoisotopic Mass:
373.11g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
6.7
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