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10-cinnamylideneanthracen-9-one 52236-54-1 98%
Identification and Related Records
【Name】
10-(3-phenylprop-2-en-1-ylidene)anthracen-9(10H)-one
【CAS Registry number】
52236-54-1
【Synonyms】
AC1L7OUN
10-cinnamylideneanthracen-9-one
【Molecular Formula】
C23H16O (Products with the same molecular formula)
【Molecular Weight】
308.3725
【Inchi】
InChI=1/C23H16O/c24-23-21-14-6-4-12-19(21)18(20-13-5-7-15-22(20)23)16-8-11-17-9-2-1-3-10-17/h1-16H
【Canonical SMILES】
C1=CC=C(C=C1)C=CC=C2C3=CC=CC=C3C(=O)C4=CC=CC=C42
【MOL File】
52236-54-1.mol
Chemical and Physical Properties
【Density】
1.24g/cm3
【Boiling Point】
534.6°C at 760 mmHg
【Refractive Index】
1.739
【Flash Point】
237°C
【Computed Properties】
Molecular Weight:308.37254 [g/mol]
Molecular Formula:C23H16O
XLogP3-AA:5.6
H-Bond Donor:0
H-Bond Acceptor:1
Rotatable Bond Count:2
Exact Mass:308.120115
MonoIsotopic Mass:308.120115
Topological Polar Surface Area:17.1
Heavy Atom Count:24
Formal Charge:0
Complexity:480
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:1
Feature 3D Ring Count:4
Effective Rotor Count:2
Conformer Sampling RMSD:0.6
CID Conformer Count:4
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