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23504-31-6 | 1,3-Pentanedione, 5-anilino-1,5-diphenyl- (8CI)
CAS No: 23504-31-6 Catalog No: AG002NF7 MDL No:
Product Description
Catalog Number:
AG002NF7
Chemical Name:
1,3-Pentanedione, 5-anilino-1,5-diphenyl- (8CI)
CAS Number:
23504-31-6
Molecular Formula:
C23H21NO2
Molecular Weight:
343.4183
IUPAC Name:
5-anilino-1,5-diphenylpentane-1,3-dione
InChI:
InChI=1S/C23H21NO2/c25-21(17-23(26)19-12-6-2-7-13-19)16-22(18-10-4-1-5-11-18)24-20-14-8-3-9-15-20/h1-15,22,24H,16-17H2
InChI Key:
AXZQDTZWPCEZSU-UHFFFAOYSA-N
SMILES:
O=C(CC(=O)c1ccccc1)CC(c1ccccc1)Nc1ccccc1
NSC Number:
123347
Properties
Complexity:
443
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
343.157g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
343.426g/mol
Monoisotopic Mass:
343.157g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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