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DMNB

CAT: 0607-B6945-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0607-B6945-10Size:10 mg
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Description
DNA-dependent protein kinase (DNA-PK) inhibitor
CAS Number
20357-25-9
Product Name Alternative
4,5-dimethoxy-2-nitrobenzaldehyde
Field of Research
DNA Damage DNA Repair DNA-PK
Purity
0.9892
Form
A solid
Solubility
≥83.33 mg/mL in DMSO; insoluble in EtOH; insoluble in H2O
Smiles
[O-][N+](C1=C(C=O)C=C(C(OC)=C1)OC)=O
Molecular Formula
C9H9NO5
Molecular Weight
211.15
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

6-Nitroveratraldehyde

4,5-dimethoxy-2-nitrobenzaldehyde is an aromatic ether and a C-nitro compound.

CAS Number20357-25-9
PubChem CID88505
IUPAC Name4,5-dimethoxy-2-nitrobenzaldehyde
Molecular FormulaC9H9NO5
Molecular Weight211.17
XLogP1.2
Topological Polar Surface Area81.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count15
Formal Charge0
Complexity239
SMILES
COC1=C(C=C(C(=C1)C=O)[N+](=O)[O-])OC
InChI
InChI=1S/C9H9NO5/c1-14-8-3-6(5-11)7(10(12)13)4-9(8)15-2/h3-5H,1-2H3
InChIKey
YWSPWKXREVSQCA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-Nitroveratraldehyde
CAS: 20357-25-9
CID: 88505
Formula: C9H9NO5
MW: 211.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight211.17
XLogP31.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass211.04807239
Monoisotopic Mass211.04807239
Topological Polar Surface Area81.4 Ų
Heavy Atom Count15
Formal Charge0
Complexity239
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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