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114435-12-0 | 1,2-Ethanedione, 1,2-bis(4-butoxyphenyl)-
CAS No: 114435-12-0 Catalog No: AG000BBM MDL No:
Product Description
Catalog Number:
AG000BBM
Chemical Name:
1,2-Ethanedione, 1,2-bis(4-butoxyphenyl)-
CAS Number:
114435-12-0
Molecular Formula:
C22H26O4
Molecular Weight:
354.4394
IUPAC Name:
1,2-bis(4-butoxyphenyl)ethane-1,2-dione
InChI:
InChI=1S/C22H26O4/c1-3-5-15-25-19-11-7-17(8-12-19)21(23)22(24)18-9-13-20(14-10-18)26-16-6-4-2/h7-14H,3-6,15-16H2,1-2H3
InChI Key:
NWSOJGXEFYPMPO-UHFFFAOYSA-N
SMILES:
CCCCOc1ccc(cc1)C(=O)C(=O)c1ccc(cc1)OCCCC
Properties
Complexity:
378
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
354.183g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
354.446g/mol
Monoisotopic Mass:
354.183g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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