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113676-37-2

113676-37-2 | Methanone, (2,7-dihydro-2-phenyl-2-oxoninyl)phenyl-

CAS No: 113676-37-2 Catalog No: AG0009AL MDL No:

Product Description

Catalog Number:
AG0009AL
Chemical Name:
Methanone, (2,7-dihydro-2-phenyl-2-oxoninyl)phenyl-
CAS Number:
113676-37-2
Molecular Formula:
C21H18O2
Molecular Weight:
302.3664
IUPAC Name:
phenyl-(9-phenyl-4H-oxonin-9-yl)methanone
InChI:
InChI=1S/C21H18O2/c22-20(18-12-6-4-7-13-18)21(19-14-8-5-9-15-19)16-10-2-1-3-11-17-23-21/h1-2,4-17H,3H2
InChI Key:
XIHHKGPAQPBDIW-UHFFFAOYSA-N
SMILES:
O=C(C1(OC=CCC=CC=C1)c1ccccc1)c1ccccc1

Properties

Complexity:
476  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.131g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
302.373g/mol
Monoisotopic Mass:
302.131g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
3  
XLogP3:
5.3  

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