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Anthrone for Synthesis

CAT: 0459-282835-02Size: 25 gDry Ice: NoHazardous: No
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CAT#:0459-282835-02Size:25 g
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CAS Number
90-44-8

Chemical Information

Anthrone

Anthrone is a member of the class of anthracenes that is 9,10-dihydroanthracene carrying an oxo group at C-9. It has a role as a radical scavenger. It is a tautomer of a 9-anthrol.

CAS Number90-44-8
PubChem CID7018
IUPAC Name10H-anthracen-9-one
Molecular FormulaC14H10O
Molecular Weight194.23
XLogP3.7
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count15
Formal Charge0
Complexity234
SMILES
C1C2=CC=CC=C2C(=O)C3=CC=CC=C31
InChI
InChI=1S/C14H10O/c15-14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14/h1-8H,9H2
InChIKey
RJGDLRCDCYRQOQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Anthrone
CAS: 90-44-8
CID: 7018
Formula: C14H10O
MW: 194.23
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight194.23
XLogP33.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass194.073164938
Monoisotopic Mass194.073164938
Topological Polar Surface Area17.1 Ų
Heavy Atom Count15
Formal Charge0
Complexity234
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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