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5102-79-4 | 2-Diphenylacetyl-1,3-indandione-1-hydrazone
CAS No: 5102-79-4 Catalog No: AG003H5N MDL No:
Product Description
Catalog Number:
AG003H5N
Chemical Name:
2-Diphenylacetyl-1,3-indandione-1-hydrazone
CAS Number:
5102-79-4
Molecular Formula:
C23H18N2O2
Molecular Weight:
354.4012
IUPAC Name:
(3Z)-2-(2,2-diphenylacetyl)-3-hydrazinylideneinden-1-one
InChI:
InChI=1S/C23H18N2O2/c24-25-21-17-13-7-8-14-18(17)22(26)20(21)23(27)19(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14,19-20H,24H2/b25-21+
InChI Key:
QBGMRRUHCFHZLC-NJNXFGOHSA-N
SMILES:
N/N=C/1\c2ccccc2C(=O)C1C(=O)C(c1ccccc1)c1ccccc1
EC Number:
225-821-3
NSC Number:
83445
Properties
Complexity:
569
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
354.137g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
354.409g/mol
Monoisotopic Mass:
354.137g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
72.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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