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19909-64-9 | Butanetetrone, bis(4-methylphenyl)- (9CI)
CAS No: 19909-64-9 Catalog No: AG002BVZ MDL No:
Product Description
Catalog Number:
AG002BVZ
Chemical Name:
Butanetetrone, bis(4-methylphenyl)- (9CI)
CAS Number:
19909-64-9
Molecular Formula:
C18H14O4
Molecular Weight:
294.3014
IUPAC Name:
1,4-bis(4-methylphenyl)butane-1,2,3,4-tetrone
InChI:
InChI=1S/C18H14O4/c1-11-3-7-13(8-4-11)15(19)17(21)18(22)16(20)14-9-5-12(2)6-10-14/h3-10H,1-2H3
InChI Key:
GMDUFYFHRYTPMN-UHFFFAOYSA-N
SMILES:
O=C(C(=O)c1ccc(cc1)C)C(=O)C(=O)c1ccc(cc1)C
Properties
Complexity:
420
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.089g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
294.306g/mol
Monoisotopic Mass:
294.089g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
68.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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