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88239-35-4

88239-35-4 | 4H-Pyran-4-one, 3,5-bis(diphenylmethyl)-2,6-dimethyl-

CAS No: 88239-35-4 Catalog No: AG004AUA MDL No:

Product Description

Catalog Number:
AG004AUA
Chemical Name:
4H-Pyran-4-one, 3,5-bis(diphenylmethyl)-2,6-dimethyl-
CAS Number:
88239-35-4
Molecular Formula:
C33H28O2
Molecular Weight:
456.5742
IUPAC Name:
3,5-dibenzhydryl-2,6-dimethylpyran-4-one
InChI:
InChI=1S/C33H28O2/c1-23-29(31(25-15-7-3-8-16-25)26-17-9-4-10-18-26)33(34)30(24(2)35-23)32(27-19-11-5-12-20-27)28-21-13-6-14-22-28/h3-22,31-32H,1-2H3
InChI Key:
AAUFPXOXNVQIRX-UHFFFAOYSA-N
SMILES:
Cc1oc(C)c(c(=O)c1C(c1ccccc1)c1ccccc1)C(c1ccccc1)c1ccccc1

Properties

Complexity:
680  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
456.209g/mol
Formal Charge:
0
Heavy Atom Count:
35  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
456.585g/mol
Monoisotopic Mass:
456.209g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.6  

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