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86772-83-0 | 9(10H)-Anthracenone, hydroxy-10-(10-oxo-9(10H)-anthracenylidene)-
CAS No: 86772-83-0 Catalog No: AG004SB3 MDL No:
Product Description
Catalog Number:
AG004SB3
Chemical Name:
9(10H)-Anthracenone, hydroxy-10-(10-oxo-9(10H)-anthracenylidene)-
CAS Number:
86772-83-0
Molecular Formula:
C28H16O3
Molecular Weight:
400.4248
IUPAC Name:
1-hydroxy-10-(10-oxoanthracen-9-ylidene)anthracen-9-one
InChI:
InChI=1S/C28H16O3/c29-23-15-7-14-22-25(18-10-3-6-13-21(18)28(31)26(22)23)24-16-8-1-4-11-19(16)27(30)20-12-5-2-9-17(20)24/h1-15,29H
InChI Key:
PKCDPODPQMQYCQ-UHFFFAOYSA-N
SMILES:
O=C1c2ccccc2C(=C2c3ccccc3C(=O)c3c2cccc3O)c2c1cccc2
Properties
Complexity:
753
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
400.11g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
400.433g/mol
Monoisotopic Mass:
400.11g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
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