Methyl 1,2,5,6-tetrahydro-1-methylnicotinate,mono[(3-acetamido-4-hydroxyphenyl)arsonate]

Name: Methyl 1,2,5,6-tetrahydro-1-methylnicotinate,mono[(3-acetamido-4-hydroxyphenyl)arsonate]
SKU: ACM900776
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CAS

900-77-6

Catalog Number

ACM900776

Category

Other Products

Molecular Weight

430.284620 [g/mol]

Molecular Formula

C₈H₁₃NO₂.C₈H₁₀AsNO₅

COA MSDS SDS Spec Sheet

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Specification

Synonyms

DROCARBIL, CID13479, EINECS 212-983-5, Methyl 1,2,5,6-tetrahydro-1-methylnicotinate, mono((3-acetamido-4-hydroxyphenyl)arsonate), 900-77-6

IUPAC Name

(3-acetamido-4-hydroxyphenyl)arsonic acid; methyl 1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate

SMILES

CC(=O)NC1=C(C=CC(=C1)[As](=O)(O)O)O.CN1CCC=C(C1)C(=O)OC

InChI Key

QUVJQSPCNYDKEI-UHFFFAOYSA-N

Boiling Point

693.2ºC at 760 mmHg

Flash Point

373ºC

EC Number

212-983-5

Exact Mass

430.07200

H-Bond Acceptor

H-Bond Donor

What is the molecular formula of Methyl 1,2,5,6-tetrahydro-1-methylnicotinate, mono[(3-acetamido-4-hydroxyphenyl)arsonate]?

The molecular formula is C16H23AsN2O7.

When was Methyl 1,2,5,6-tetrahydro-1-methylnicotinate, mono[(3-acetamido-4-hydroxyphenyl)arsonate] created and modified?

It was created on 2005-08-08 and last modified on 2023-12-30.

What is the IUPAC name of Methyl 1,2,5,6-tetrahydro-1-methylnicotinate, mono[(3-acetamido-4-hydroxyphenyl)arsonate]?

The IUPAC name is (3-acetamido-4-hydroxyphenyl)arsonic acid; methyl 1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate.

What is the molecular weight of Methyl 1,2,5,6-tetrahydro-1-methylnicotinate, mono[(3-acetamido-4-hydroxyphenyl)arsonate]?

The molecular weight is 430.28 g/mol.

What is the Canonical SMILES of Methyl 1,2,5,6-tetrahydro-1-methylnicotinate, mono[(3-acetamido-4-hydroxyphenyl)arsonate]?

The Canonical SMILES is CC(=O)NC1=C(C=CC(=C1)[As](=O)(O)O)O.CN1CCC=C(C1)C(=O)OC.

What is the CAS number of Methyl 1,2,5,6-tetrahydro-1-methylnicotinate, mono[(3-acetamido-4-hydroxyphenyl)arsonate]?

The CAS number is 900-77-6.

What are the hydrogen bond donor count and acceptor count of Methyl 1,2,5,6-tetrahydro-1-methylnicotinate, mono[(3-acetamido-4-hydroxyphenyl)arsonate]?

The hydrogen bond donor count is 4, and the acceptor count is 8.

What is the topological polar surface area of Methyl 1,2,5,6-tetrahydro-1-methylnicotinate, mono[(3-acetamido-4-hydroxyphenyl)arsonate]?

The topological polar surface area is 136 Å².

How many covalently-bonded units are there in Methyl 1,2,5,6-tetrahydro-1-methylnicotinate, mono[(3-acetamido-4-hydroxyphenyl)arsonate]?

There are 2 covalently-bonded units.

Is the compound canonicalized?

Yes, the compound is canonicalized.

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