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101611-80-7 | 2-Propenal, 2-[2-(2,2-diphenylacetyl)-2,3-dihydro-3-oxo-1H-inden-1-ylidene]hydrazone
CAS No: 101611-80-7 Catalog No: AG0004ZJ MDL No:
Product Description
Catalog Number:
AG0004ZJ
Chemical Name:
2-Propenal, 2-[2-(2,2-diphenylacetyl)-2,3-dihydro-3-oxo-1H-inden-1-ylidene]hydrazone
CAS Number:
101611-80-7
Molecular Formula:
C26H20N2O2
Molecular Weight:
392.4492
IUPAC Name:
2-(2,2-diphenylacetyl)-3-(prop-2-enylidenehydrazinylidene)inden-1-one
InChI:
InChI=1S/C26H20N2O2/c1-2-17-27-28-24-20-15-9-10-16-21(20)25(29)23(24)26(30)22(18-11-5-3-6-12-18)19-13-7-4-8-14-19/h2-17,22-23H,1H2
InChI Key:
DZDKTKPIBKYPSR-UHFFFAOYSA-N
SMILES:
C=C/C=N/N=C/1\c2ccccc2C(=O)C1C(=O)C(c1ccccc1)c1ccccc1
Properties
Complexity:
680
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
392.152g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
392.458g/mol
Monoisotopic Mass:
392.152g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
58.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
2
XLogP3:
4.5
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