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87212-94-0 | Cyclopentanone, 2,5-bis[7-(dimethylamino)-2,4,6-heptatrienylidene]-
CAS No: 87212-94-0 Catalog No: AG004RQ5 MDL No:
Product Description
Catalog Number:
AG004RQ5
Chemical Name:
Cyclopentanone, 2,5-bis[7-(dimethylamino)-2,4,6-heptatrienylidene]-
CAS Number:
87212-94-0
Molecular Formula:
C23H30N2O
Molecular Weight:
350.4971
IUPAC Name:
2,5-bis[7-(dimethylamino)hepta-2,4,6-trienylidene]cyclopentan-1-one
InChI:
InChI=1S/C23H30N2O/c1-24(2)19-13-9-5-7-11-15-21-17-18-22(23(21)26)16-12-8-6-10-14-20-25(3)4/h5-16,19-20H,17-18H2,1-4H3
InChI Key:
XQFKIHUFNGIUSD-UHFFFAOYSA-N
SMILES:
CN(C=CC=CC=CC=C1CCC(=CC=CC=CC=CN(C)C)C1=O)C
Properties
Complexity:
623
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
350.236g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
350.506g/mol
Monoisotopic Mass:
350.236g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
23.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
8
XLogP3:
4.9
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