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Dithranol EP Impurity A; Anthrone

CAT: 1299-RM-D092001-04Size: 100 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-D092001-04Size:100 mg
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CAS Number
90-44-8
Synonyms
Anthracen-9 (10H) -one
Molecular Formula
C14H10O
Molecular Weight
194.23
Target Alternative Name
Dithranol
Product Name Synonym
Anthracen-9 (10H) -one

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
Loading 3D structure...
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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