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19909-65-0 | Butanetetrone, bis(2,4,6-trimethylphenyl)- (9CI)
CAS No: 19909-65-0 Catalog No: AG002BVY MDL No:
Product Description
Catalog Number:
AG002BVY
Chemical Name:
Butanetetrone, bis(2,4,6-trimethylphenyl)- (9CI)
CAS Number:
19909-65-0
Molecular Formula:
C22H22O4
Molecular Weight:
350.4077
IUPAC Name:
1,4-bis(2,4,6-trimethylphenyl)butane-1,2,3,4-tetrone
InChI:
InChI=1S/C22H22O4/c1-11-7-13(3)17(14(4)8-11)19(23)21(25)22(26)20(24)18-15(5)9-12(2)10-16(18)6/h7-10H,1-6H3
InChI Key:
OKPHOCZMMHASKA-UHFFFAOYSA-N
SMILES:
O=C(C(=O)c1c(C)cc(cc1C)C)C(=O)C(=O)c1c(C)cc(cc1C)C
Properties
Complexity:
517
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
350.152g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
350.414g/mol
Monoisotopic Mass:
350.152g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
68.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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