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118409-57-7

118409-57-7 structural image
Product Name: AG 18
Formula: C10H6N2O2
Synonyms: α-Cyano-(3,4-dihydroxy)cinnamonitrile, Tyrphostin A23, RG-50810;(3,4-Dihydroxybenzylidene)malononitrile;AG 18 - CAS 118409-57-7 - Calbiochem;RG-50810
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SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Health Hazard
GHS08
GHS Hazard Statements H371:Specific target organ toxicity, single exposure
H373:Specific target organ toxicity, repeated exposure
Precautionary Statement Codes P260:Do not breathe dust/fume/gas/mist/vapours/spray.
P264:Wash hands thoroughly after handling.
P264:Wash skin thouroughly after handling.
P270:Do not eat, drink or smoke when using this product.
P405:Store locked up.

COMPUTED DESCRIPTORS

Molecular Weight 186.17 g/mol
XLogP3 1.3
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 1
Exact Mass 186.042927438 g/mol
Monoisotopic Mass 186.042927438 g/mol
Topological Polar Surface Area 88 Ų
Heavy Atom Count 14
Formal Charge 0
Complexity 313
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

PRODUCT INTRODUCTION

description

2-[(3,4-dihydroxyphenyl)methylidene]propanedinitrile is a member of catechols.