AG126

CAT: 0127-BUP10228-01Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP10228-01Size:5 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

118409-62-4

Synonyms

Tyrphostin AG126, AG 126

Purity

=95%

Smiles

Oc1cc(C=C(C#N)C#N)ccc1[N+]([O-])=O

Chemical Information

AG 126

2-[(3-hydroxy-4-nitrophenyl)methylidene]propanedinitrile is a nitrophenol.

CAS Number	118409-62-4
PubChem CID	2046
IUPAC Name	2-[(3-hydroxy-4-nitrophenyl)methylidene]propanedinitrile
Molecular Formula	C10H5N3O3
Molecular Weight	215.16
XLogP	2
Topological Polar Surface Area	114
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Heavy Atom Count	16
Formal Charge	0
Complexity	388

SMILES

C1=CC(=C(C=C1C=C(C#N)C#N)O)[N+](=O)[O-]

InChI

InChI=1S/C10H5N3O3/c11-5-8(6-12)3-7-1-2-9(13(15)16)10(14)4-7/h1-4,14H

InChIKey

DUQADSPERJRQBW-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 118409-62-4

CID: 2046

Formula: C10H5N3O3

MW: 215.16

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	215.16
XLogP3	2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Exact Mass	215.03309103
Monoisotopic Mass	215.03309103
Topological Polar Surface Area	114 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	388
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
BUP15372-01	Tyrphostin AG1296

Catalog	Name
HY-108330-01	AG126
HY-108330R	AG126 (Standard)