Tyrphostin A25

CAT: 0024-sc-3555Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-3555Size:25 mg

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CAS Number

118409-58-8

Chemical Information

Tyrphostin 25

2-[(3,4,5-trihydroxyphenyl)methylidene]propanedinitrile is a benzenetriol.

CAS Number	118409-58-8
PubChem CID	2061
IUPAC Name	2-[(3,4,5-trihydroxyphenyl)methylidene]propanedinitrile
Molecular Formula	C10H6N2O3
Molecular Weight	202.17
XLogP	0.9
Topological Polar Surface Area	108
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Heavy Atom Count	15
Formal Charge	0
Complexity	329

SMILES

C1=C(C=C(C(=C1O)O)O)C=C(C#N)C#N

InChI

InChI=1S/C10H6N2O3/c11-4-7(5-12)1-6-2-8(13)10(15)9(14)3-6/h1-3,13-15H

InChIKey

YZOFLYUAQDJWKV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 118409-58-8

CID: 2061

Formula: C10H6N2O3

MW: 202.17

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	202.17
XLogP3	0.9
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Exact Mass	202.03784206
Monoisotopic Mass	202.03784206
Topological Polar Surface Area	108 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	329
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