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2-Methyl-1-Nitroanthraquinone

CAT: 0572-TRC-M340625-1GSize: 1 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-M340625-1GSize:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
129-15-7
Hazard Statement
No Data Available
Smiles
CC1=C(C2=C(C=C1)C(=O)C3=CC=CC=C3C2=O)[N+](=O)[O-]
Molecular Formula
C15H9NO4
Molecular Weight
267.23

Chemical Information

2-Methyl-1-nitroanthraquinone

2-Methyl-1-nitroanthraquinone (of uncertain purity) can cause cancer according to an independent committee of scientific and health experts.

CAS Number129-15-7
PubChem CID31426
IUPAC Name2-methyl-1-nitroanthracene-9,10-dione
Molecular FormulaC15H9NO4
Molecular Weight267.24
XLogP3.1
Topological Polar Surface Area80
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Heavy Atom Count20
Formal Charge0
Complexity455
SMILES
CC1=C(C2=C(C=C1)C(=O)C3=CC=CC=C3C2=O)[N+](=O)[O-]
InChI
InChI=1S/C15H9NO4/c1-8-6-7-11-12(13(8)16(19)20)15(18)10-5-3-2-4-9(10)14(11)17/h2-7H,1H3
InChIKey
FYXKXZFTZBYYNP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Methyl-1-nitroanthraquinone
CAS: 129-15-7
CID: 31426
Formula: C15H9NO4
MW: 267.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight267.24
XLogP33.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Exact Mass267.05315777
Monoisotopic Mass267.05315777
Topological Polar Surface Area80 Ų
Heavy Atom Count20
Formal Charge0
Complexity455
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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