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2-Methylanthraquinone

CAT: 0926-FM40592-02Size: 25 gDry Ice: NoHazardous: No
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CAT#:0926-FM40592-02Size:25 g
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CAS Number
84-54-8
MDL Number
MFCD00001235
Smiles
CC1=CC2=C (C=C1) C (=O) C3=CC=CC=C3C2=O
Molecular Formula
C15H10O2
Molecular Weight
222.24 g/mol
Controlled
No

Chemical Information

2-Methylanthraquinone

2-methylanthraquinone is an anthraquinone that is 9,10-anthraquinone in which the hydrogen at position 2 is substituted by a methyl group. It is functionally related to a 9,10-anthraquinone.

CAS Number84-54-8
PubChem CID6773
IUPAC Name2-methylanthracene-9,10-dione
Molecular FormulaC15H10O2
Molecular Weight222.24
XLogP3.9
Topological Polar Surface Area34.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count17
Formal Charge0
Complexity347
SMILES
CC1=CC2=C(C=C1)C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C15H10O2/c1-9-6-7-12-13(8-9)15(17)11-5-3-2-4-10(11)14(12)16/h2-8H,1H3
InChIKey
NJWGQARXZDRHCD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Methylanthraquinone
CAS: 84-54-8
CID: 6773
Formula: C15H10O2
MW: 222.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight222.24
XLogP33.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass222.068079557
Monoisotopic Mass222.068079557
Topological Polar Surface Area34.1 Ų
Heavy Atom Count17
Formal Charge0
Complexity347
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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