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AG 127

CAT: 0931-T29696-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T29696-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
90947-89-0
Target
Others
Related Pathways
Others
Bioactivity
AG 127 is a biochemical.
Smiles
N#CC(C#N)=CC1=CC=C(O)C(=C1)N(=O)=O
Molecular Formula
C10H5N3O3
Molecular Weight
215.16
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

AG 127

structure given in first source

CAS Number90947-89-0
PubChem CID5328785
IUPAC Name2-[(4-hydroxy-3-nitrophenyl)methylidene]propanedinitrile
Molecular FormulaC10H5N3O3
Molecular Weight215.16
XLogP2.1
Topological Polar Surface Area114
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Heavy Atom Count16
Formal Charge0
Complexity388
SMILES
C1=CC(=C(C=C1C=C(C#N)C#N)[N+](=O)[O-])O
InChI
InChI=1S/C10H5N3O3/c11-5-8(6-12)3-7-1-2-10(14)9(4-7)13(15)16/h1-4,14H
InChIKey
BQOURLGXLYRASY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of AG 127
CAS: 90947-89-0
CID: 5328785
Formula: C10H5N3O3
MW: 215.16
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight215.16
XLogP32.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Exact Mass215.03309103
Monoisotopic Mass215.03309103
Topological Polar Surface Area114 Ų
Heavy Atom Count16
Formal Charge0
Complexity388
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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