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Home Other Building Blocks Thiocyanic acid, 2-(3,4-dihydroxyphenyl)-2-oxoethyl ester

Thiocyanic acid, 2-(3,4-dihydroxyphenyl)-2-oxoethyl ester

CAS No.:
101714-41-4
Catalog Number:
AG0005B6
Molecular Formula:
C9H7NO3S
Molecular Weight:
209.2218
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Product Description
Catalog Number:
AG0005B6
Chemical Name:
Thiocyanic acid, 2-(3,4-dihydroxyphenyl)-2-oxoethyl ester
CAS Number:
101714-41-4
Molecular Formula:
C9H7NO3S
Molecular Weight:
209.2218
MDL Number:
MFCD22415334
IUPAC Name:
[2-(3,4-dihydroxyphenyl)-2-oxoethyl] thiocyanate
InChI:
InChI=1S/C9H7NO3S/c10-5-14-4-9(13)6-1-2-7(11)8(12)3-6/h1-3,11-12H,4H2
InChI Key:
SVFLBLCWKKQKDW-UHFFFAOYSA-N
SMILES:
N#CSCC(=O)c1ccc(c(c1)O)O
Properties
Complexity:
260  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.015g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
209.219g/mol
Monoisotopic Mass:
209.015g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Literature
Title Journal
Hepatic Amiodarone Lipotoxicity Is Ameliorated by Genetic and Pharmacological Inhibition of Endoplasmatic Reticulum Stress. Toxicological sciences : an official journal of the Society of Toxicology 20171001
Post-treatment of a BiP inducer prevents cell death after middle cerebral artery occlusion in mice. Neuroscience letters 20101022
[Therapeutic strategies for Alzheimer disease based on endoplasmic reticulum stress]. Nihon shinkei seishin yakurigaku zasshi = Japanese journal of psychopharmacology 20100801
Regulation of ER molecular chaperone prevents bone loss in a murine model for osteoporosis. Journal of bone and mineral metabolism 20100301
The protective effect of a newly developed molecular chaperone-inducer against mouse ischemic acute kidney injury. Journal of pharmacological sciences 20090201
Effect of an inducer of BiP, a molecular chaperone, on endoplasmic reticulum (ER) stress-induced retinal cell death. Investigative ophthalmology & visual science 20090101
Induction of BiP, an ER-resident protein, prevents the neuronal death induced by transient forebrain ischemia in gerbil. Brain research 20080507
A molecular chaperone inducer protects neurons from ER stress. Cell death and differentiation 20080201
Properties