Ethanone,1-(4-hydroxyphenyl)-, 2-[1-(4-hydroxyphenyl)ethylidene]hydrazone(CAS No. 5466-24-0)

Details:

【Name】
Ethanone,1-(4-hydroxyphenyl)-, 2-[1-(4-hydroxyphenyl)ethylidene]hydrazone
【Iupac name】
4-[1-[2-[1-(4-oxocyclohexa-2,
5-dien-1-ylidene)ethyl]hydrazinyl]ethylidene]cyclohexa-2,5-dien-1-one
【CAS Registry number】
5466-24-0
【Synonyms】
Acetophenone,4'-hydroxy-, azine (8CI)
Ethanone, 1-(4-hydroxyphenyl)-, [1-(4-hydroxyphenyl)ethylidene]hydrazone(9CI)
4,4'-Dihydroxy-a,a'-dimethylbenzalazine
4-Hydroxyacetophenone azine
NSC 136257
NSC 25771
【Molecular Formula】
C16H16 N2 O2 (Products with the same molecular formula)
【Molecular Weight】
0
【Inchi】
InChI=1/C16H16N2O2/c1-11(13-3-7-15(19)8-4-13)17-18-12(2)14-5-9-16(20)10-6-14/h3-10,17-18H,1-2H3
【Canonical SMILES】
CC(=C1C=CC(=O)C=C1)NNC(=C2C=CC(=O)C=C2)C
【MOL File】
5466-24-0.mol
Chemical and Physical Properties
【Density】
1.225g/cm3
【Boiling Point】
374.2°Cat760mmHg
【Refractive Index】
1.619
【Flash Point】
130.1°C
【Computed Properties】
Molecular Weight:268.31044 [g/mol]
Molecular Formula:C16H16N2O2
XLogP3-AA:2.4
H-Bond Donor:2
H-Bond Acceptor:4
Rotatable Bond Count:3
Tautomer Count:15
Exact Mass:268.121178
MonoIsotopic Mass:268.121178
Topological Polar Surface Area:58.2
Heavy Atom Count:20
Formal Charge:0
Complexity:537
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:2
Feature 3D Donor Count:2
Feature 3D Ring Count:2
Effective Rotor Count:3
Conformer Sampling RMSD:0.6
CID Conformer Count:30