Sodium methyl 1-benzyl-1,2,5,6-tetrahydro-4-oxidonicotinate

CAS
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CAS
97392-69-3
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Purity
96%
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Catalog Number

ACM97392693

Product Name

Sodium methyl 1-benzyl-1,2,5,6-tetrahydro-4-oxidonicotinate

Structure

Structure

CAS

97392-69-3

Category

Heterocyclic Organic Compound

Synonyms

MolPort-004-946-812, EINECS 306-704-7, SBB003044, CID2723669, Sodium methyl 1-benzyl-1,2,5,6-tetrahydro-4-oxidonicotinate, Sodium 1-benzyl-3-methoxycarbonyl-5,6-dihydro-2H-pyridin-4-olate, 97392-69-3

IUPAC Name

sodium 1-benzyl-5-methoxycarbonyl-3,6-dihydro-2H-pyridin-4-olate

Molecular Weight

269.271510 [g/mol]

Molecular Formula

C₁₄H₁₇NO₃Na

Canonical SMILES

COC(=O)C1=C(CCN(C1)CC2=CC=CC=C2)[O-].[Na+]

InChI Key

UMIVXVPLJJJLQG-UHFFFAOYSA-M

Boiling Point

379.7ºC at 760mmHg

Flash Point

183.4ºC

EC Number

306-704-7

Exact Mass

269.10300

H-Bond Acceptor

4

H-Bond Donor

0

MSDS

COA

Spec Sheet

Download Spec Sheet

What is the molecular formula of Sodium methyl 1-benzyl-1,2,5,6-tetrahydro-4-oxidonicotinate?

The molecular formula is C14H16NNaO3.

What is the molecular weight of Sodium methyl 1-benzyl-1,2,5,6-tetrahydro-4-oxidonicotinate?

The molecular weight is 269.27 g/mol.

What are some synonyms for Sodium methyl 1-benzyl-1,2,5,6-tetrahydro-4-oxidonicotinate?

Some synonyms include 97392-69-3, EINECS 306-704-7, and sodium;1-benzyl-5-methoxycarbonyl-3,6-dihydro-2H-pyridin-4-olate.

When was Sodium methyl 1-benzyl-1,2,5,6-tetrahydro-4-oxidonicotinate created and modified?

It was created on 2005-07-19 and last modified on 2023-12-30.

What is the IUPAC name of Sodium methyl 1-benzyl-1,2,5,6-tetrahydro-4-oxidonicotinate?

The IUPAC name is sodium;1-benzyl-5-methoxycarbonyl-3,6-dihydro-2H-pyridin-4-olate.

What is the InChI key of Sodium methyl 1-benzyl-1,2,5,6-tetrahydro-4-oxidonicotinate?

The InChI key is UMIVXVPLJJJLQG-UHFFFAOYSA-M.

How many hydrogen bond acceptor counts does Sodium methyl 1-benzyl-1,2,5,6-tetrahydro-4-oxidonicotinate have?

It has 4 hydrogen bond acceptor counts.

What is the exact mass of Sodium methyl 1-benzyl-1,2,5,6-tetrahydro-4-oxidonicotinate?

The exact mass is 269.10278765 g/mol.

What is the topological polar surface area of Sodium methyl 1-benzyl-1,2,5,6-tetrahydro-4-oxidonicotinate?

The topological polar surface area is 52.6 Å2.

Is Sodium methyl 1-benzyl-1,2,5,6-tetrahydro-4-oxidonicotinate a canonicalized compound?

Yes, it is a canonicalized compound.

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