(1,2,3,6-Tetrahydro-3-hydroxy-1-methyl-6-oxo-5H-indol-5-al)semicarbazone monohydrochloride

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CAS
94158-51-7
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Purity
96%
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Catalog Number

ACM94158517

Product Name

(1,2,3,6-Tetrahydro-3-hydroxy-1-methyl-6-oxo-5H-indol-5-al)semicarbazone monohydrochloride

Structure

Structure

CAS

94158-51-7

Category

Heterocyclic Organic Compound

Synonyms

94158-51-7, KB-205022, (1,2,3,6-tetrahydro-3-hydroxy-1-methyl-6-oxo-5h-indol-5-al)semicarbazone hydrochloride

IUPAC Name

[(3-hydroxy-1-methyl-6-oxo-3,5-dihydro-2H-indol-5-yl)methylideneamino]urea;hydrochloride

Molecular Weight

286.714800 [g/mol]

Molecular Formula

C₁₀H₁₂N₄O₃.HCl

Canonical SMILES

CN1CC(C2=CC(C(=O)C=C21)C=NNC(=O)N)O.Cl

InChI Key

KWESODUXDBUTSF-UHFFFAOYSA-N

EC Number

303-123-0

Exact Mass

286.08300

H-Bond Acceptor

5

H-Bond Donor

4

MSDS

COA

Spec Sheet

Download Spec Sheet

What is the molecular formula of (1,2,3,6-Tetrahydro-3-hydroxy-1-methyl-6-oxo-5H-indol-5-al)semicarbazone monohydrochloride?

The molecular formula is C11H15ClN4O3.

When was (1,2,3,6-Tetrahydro-3-hydroxy-1-methyl-6-oxo-5H-indol-5-al)semicarbazone monohydrochloride created and modified in PubChem?

It was created on 2009-08-20 and modified on 2023-12-30.

What is the IUPAC Name of (1,2,3,6-Tetrahydro-3-hydroxy-1-methyl-6-oxo-5H-indol-5-al)semicarbazone monohydrochloride?

The IUPAC Name is [(E)-(3-hydroxy-1-methyl-6-oxo-3,5-dihydro-2H-indol-5-yl)methylideneamino]urea; hydrochloride.

What is the InChIKey of the compound?

The InChIKey is KWESODUXDBUTSF-GAYQJXMFSA-N.

How many hydrogen bond donor counts does (1,2,3,6-Tetrahydro-3-hydroxy-1-methyl-6-oxo-5H-indol-5-al)semicarbazone monohydrochloride have?

It has 4 hydrogen bond donor counts.

What is the exact mass of the compound?

The exact mass is 286.0832680 g/mol.

How many rotatable bond counts are there in the compound?

There are 2 rotatable bond counts.

What is the topological polar surface area of the compound?

The topological polar surface area is 108 2.

How many defined atom stereocenter counts does the compound have?

The compound has 0 defined atom stereocenter counts.

How many covalently-bonded unit counts are there in (1,2,3,6-Tetrahydro-3-hydroxy-1-methyl-6-oxo-5H-indol-5-al)semicarbazone monohydrochloride?

There are 2 covalently-bonded unit counts.

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