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Details 4-Hydroxyphenylacetonitrile

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Role Reference Substance
name4-Hydroxyphenylacetonitrile
MPIMP IDR001341
stereoisomer 
isotopomerambient
formulaC45H32N10O21S6.6Na
molecular mass1,264.178
monoisotopic mass1,262.99655
InChIInChI=1S/C45H32N10O21S6.6Na/c56-43-33-13-5-27(17-23(33)19-39(81(71,72)73)41(43)54-52-35-15-7-29(21-37(35)79(65,66)67)50-48-25-1-9-31(10-2-25)77(59,60)61)46-45(58)47-28-6-14-34-24(18-28)20-40(82(74,75)76)42(44(34)57)55-53-36-16-8-30(22-38(36)80(68,69)70)51-49-26-3-11-32(12-4-26)78(62,63)64;;;;;;/h1-22,52-53H,(H2,46,47,58)(H,59,60,61)(H,62,63,64)(H,65,66,67)(H,68,69,70)(H,71,72,73)(H,74,75,76);;;;;;/q;6*+1/p-6/b50-48+,51-49+,54-41-,55-42-;;;;;;
InChIKeyLDCKXVAPQFUIOI-VTCITQOPSA-H
supplierSigma
supplier code36554
lot3036X
purity99.9
solubility 
general 
amount250
amount unitMG
store temperature 1RT
store temperature 2RT
store dryFalse
store under argonFalse
store in darkFalse
contributing authorBoelling C, Max Planck Institute of Molecular Plant Physiology, Department of Molecular Plant Physiology (Prof. Willmitzer L), Am Muehlenberg 1, D-14476 Golm, Germany
date of order2004-11-23
date in2004-12-08
date out 
date expired 
box number15
application/atom+xmlhttp://gmd.mpimp-golm.mpg.de/REST/gmd.svc/ReferenceSubstance(guid%2729602f69-4f26-4dc1-84fb-b0f2407ce6c3%27)

Synonyms of 4-Hydroxyphenylacetonitrile

propertyvalue
CAS14191-95-8
ChemSpider ID7845597
PubChem CID5464587
PubChem SID24862536
synonym4-Hydroxyphenylacetonitrile
synonymp-Hydroxyphenylacetonitrile
synonymSirius Red
7 synonym(s)

Metabolites mapped to 4-Hydroxyphenylacetonitrile

Replica of 4-Hydroxyphenylacetonitrile

reference substancesuppliersupplier codelot
No Reference substances found!
compound timestamp information
deposited at 8/29/2006 by Hummel J., Max Planck Institute of Molecular Plant Physiology, Bioinformatics, Am Muehlenberg 1, D-14476 Golm, Germany
last changed at 8/11/2011 by Hummel J., Max Planck Institute of Molecular Plant Physiology, Bioinformatics, Am Muehlenberg 1, D-14476 Golm, Germany
modified by users Strehmel N., Hummel J.
service last updated 17/02/2017 © 2008-2014 Golm Metabolome Database - All rights reserved
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