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6652-42-2

6652-42-2 | 2(3H)-Oxazolone, 3,4,5-triphenyl-

CAS No: 6652-42-2 Catalog No: AG006KR6 MDL No:

Product Description

Catalog Number:
AG006KR6
Chemical Name:
2(3H)-Oxazolone, 3,4,5-triphenyl-
CAS Number:
6652-42-2
Molecular Formula:
C21H15NO2
Molecular Weight:
313.3493
IUPAC Name:
3,4,5-triphenyl-1,3-oxazol-2-one
InChI:
InChI=1S/C21H15NO2/c23-21-22(18-14-8-3-9-15-18)19(16-10-4-1-5-11-16)20(24-21)17-12-6-2-7-13-17/h1-15H
InChI Key:
OOIRRIVSRGZVHH-UHFFFAOYSA-N
SMILES:
O=c1oc(c(n1c1ccccc1)c1ccccc1)c1ccccc1
NSC Number:
76692

Properties

Complexity:
480  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.11g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
313.356g/mol
Monoisotopic Mass:
313.11g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7  

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