1-(HYDROXYMETHYL)ISATIN , CAS No.50899-59-7

CAS: 50899-59-7 Cat. No.: H170666 Summenformel: C9H7NO3 Molekulargewicht: 177.161 EG-Nummer: 622-186-8
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Synonyms
50899-59-7|1-Hydroxymethyl-1H-indole-2,3-dione|1-(Hydroxymethyl)indole-2,3-dione|1-(hydroxymethyl)indoline-2,3-dione|N-Hydroxymethylisatin|1-(Hydroxymethyl)-1H-indole-2,3-dione|1-(hydroxymethyl)-2,3-dihydro-1H-indole-2,3-dione|INDOLE-2,3-DIONE, 1-(HYDROXY
Storage
Room temperature
Shipped In
Normal
★
Size
Deutschland (EU)
USA*
Price
Qty
100mg
H170666-100mg
Auf Bestellung · 8–12 Wochen

299,28€

356,55€
Speichern 57,27 € (16.06%)
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Why this grade

for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships Normal Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyme
50899-59-7 | 1-Hydroxymethyl-1H-indole-2,3-dione | 1-(Hydroxymethyl)indole-2,3-dione | 1-(hydroxymethyl)indoline-2,3-dione | N-Hydroxymethylisatin | 1-(Hydroxymethyl)-1H-indole-2,3-dione | 1-(hydroxymethyl)-2,3-dihydro-1H-indole-2,3-dione | INDOLE-2,3-DIONE, 1-(HYDROXY
Storage
Room temperature
Verschickt in
Normal
Namen und Kennungen
Kanonisches Lächeln
C1=CC=C2C(=C1)C(=O)C(=O)N2CO
IUPAC Name
1-(hydroxymethyl)indole-2,3-dione
InChIKey
MHGOPQDELUOKPE-UHFFFAOYSA-N
INCHI
1S/C9H7NO3/c11-5-10-7-4-2-1-3-6(7)8(12)9(10)13/h1-4,11H,5H2
Isomere SMILES
C1=CC=C2C(=C1)C(=O)C(=O)N2CO
Molekulargewicht
177.161
Reaxy-Rn
153590
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=153590&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
KlasseIndoles and derivatives
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentIndoles and derivatives
Alternative Parents Aryl ketones  Benzenoids  Vinylogous amides  Tertiary carboxylic acid amides  Lactams  Azacyclic compounds  Alkanolamines  Organopnictogen compounds  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Indole or derivatives - Aryl ketone - Benzenoid - Tertiary carboxylic acid amide - Vinylogous amide - Lactam - Ketone - Carboxamide group - Azacycle - Alkanolamine - Carboxylic acid derivative - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic compound
BeschreibungThis compound belongs to the class of organic compounds known as indoles and derivatives. These are organic compounds containing an indole, which is a bicyclic ring system made up of a six-membered benzene ring fused to a five-membered nitrogen-containing pyrrole ring.
External Descriptors Not available
3D-Struktur
Interaktives chemisches Strukturmodell





Zugehörige Ziele (menschlich)
ACHE Tclin Acetylcholinesterase (18204 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
BCHE Tclin Butyrylcholinesterase (7174 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CES1 Tchem Acyl coenzyme A:cholesterol acyltransferase (1029 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Wirkungsmechanismen
Zertifikate (CoA, COO, BSE/TSE und Analyse-Diagramm)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemische und physikalische Eigenschaften
Molekulargewicht177.160 g/mol
XLogP30.500
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass177.043 Da
Monoisotopic Mass177.043 Da
Topological Polar Surface Area57.600 Ų
Heavy Atom Count13
Formal Charge0
Complexity251.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Lösungsrechner
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