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180724-31-6 | 1,3,9,11-Dodecatetraene-5,8-dione, 1,12-bis(dimethylamino)-
CAS No: 180724-31-6 Catalog No: AG0022AS MDL No:
Product Description
Catalog Number:
AG0022AS
Chemical Name:
1,3,9,11-Dodecatetraene-5,8-dione, 1,12-bis(dimethylamino)-
CAS Number:
180724-31-6
Molecular Formula:
C16H24N2O2
Molecular Weight:
276.3740
IUPAC Name:
1,12-bis(dimethylamino)dodeca-1,3,9,11-tetraene-5,8-dione
InChI:
InChI=1S/C16H24N2O2/c1-17(2)13-7-5-9-15(19)11-12-16(20)10-6-8-14-18(3)4/h5-10,13-14H,11-12H2,1-4H3
InChI Key:
ZUGLKTTUBGQYJI-UHFFFAOYSA-N
SMILES:
CN(C=CC=CC(=O)CCC(=O)C=CC=CN(C)C)C
Properties
Complexity:
376
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.184g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
276.38g/mol
Monoisotopic Mass:
276.184g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
40.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
4
XLogP3:
1.6
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