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23596-82-9 | 1,2-Cyclobutanedione, 3,4-bis(diphenylmethylene)-
CAS No: 23596-82-9 Catalog No: AG002NTK MDL No:
Product Description
Catalog Number:
AG002NTK
Chemical Name:
1,2-Cyclobutanedione, 3,4-bis(diphenylmethylene)-
CAS Number:
23596-82-9
Molecular Formula:
C30H20O2
Molecular Weight:
412.4786
IUPAC Name:
3,4-dibenzhydrylidenecyclobutane-1,2-dione
InChI:
InChI=1S/C30H20O2/c31-29-27(25(21-13-5-1-6-14-21)22-15-7-2-8-16-22)28(30(29)32)26(23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20H
InChI Key:
PLQSOQJQSXUCLN-UHFFFAOYSA-N
SMILES:
O=C1C(=O)C(=C(c2ccccc2)c2ccccc2)C1=C(c1ccccc1)c1ccccc1
Properties
Complexity:
655
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
412.146g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
412.488g/mol
Monoisotopic Mass:
412.146g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.3
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