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Tyrphostin AG 112

CAT: 0572-TRC-T947980-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-T947980-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
144978-82-5
Hazard Statement
Not a hazardous substance according to GHS.
Purity
>95% (HPLC)
Smiles
NC(=C(C#N)C#N)\C(=C\c1ccc(O)cc1)\C#N
Molecular Formula
C13H8N4O
Molecular Weight
236.23
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

AG 112

2-amino-4-(4-hydroxyphenyl)buta-1,3-diene-1,1,3-tricarbonitrile is a member of phenols.

CAS Number144978-82-5
PubChem CID5328804
IUPAC Name(3Z)-2-amino-4-(4-hydroxyphenyl)buta-1,3-diene-1,1,3-tricarbonitrile
Molecular FormulaC13H8N4O
Molecular Weight236.23
XLogP0.9
Topological Polar Surface Area118
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count18
Formal Charge0
Complexity505
SMILES
C1=CC(=CC=C1/C=C(\C#N)/C(=C(C#N)C#N)N)O
InChI
InChI=1S/C13H8N4O/c14-6-10(13(17)11(7-15)8-16)5-9-1-3-12(18)4-2-9/h1-5,18H,17H2/b10-5+
InChIKey
DXVJRTIPBNBLLB-BJMVGYQFSA-N
Chemical Structure
2D Structure
2D structure of AG 112
CAS: 144978-82-5
CID: 5328804
Formula: C13H8N4O
MW: 236.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight236.23
XLogP30.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass236.06981089
Monoisotopic Mass236.06981089
Topological Polar Surface Area118 Ų
Heavy Atom Count18
Formal Charge0
Complexity505
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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