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16017-19-9 | 9(10H)-Anthracenone, 10-(9H-xanthen-9-ylidene)-
CAS No: 16017-19-9 Catalog No: AG001RQ4 MDL No:
Product Description
Catalog Number:
AG001RQ4
Chemical Name:
9(10H)-Anthracenone, 10-(9H-xanthen-9-ylidene)-
CAS Number:
16017-19-9
Molecular Formula:
C27H16O2
Molecular Weight:
372.4147
IUPAC Name:
10-xanthen-9-ylideneanthracen-9-one
InChI:
InChI=1S/C27H16O2/c28-27-19-11-3-1-9-17(19)25(18-10-2-4-12-20(18)27)26-21-13-5-7-15-23(21)29-24-16-8-6-14-22(24)26/h1-16H
InChI Key:
QZUHWTCUQWNZDV-UHFFFAOYSA-N
SMILES:
O=C1c2ccccc2C(=C2c3ccccc3Oc3c2cccc3)c2c1cccc2
Properties
Complexity:
626
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
372.115g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
372.423g/mol
Monoisotopic Mass:
372.115g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.8
Literature
| Title | Journal |
|---|---|
| Electron-transfer reactions with significant changes in structure. Unsymmetrical crowded ethylenes. | The journal of physical chemistry. B 20061207 |
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