Sodium(E)-alpha-[(3-methoxy-1-methyl-3-oxo-1-propenyl)amino]cyclohexa-1,4-diene-1-acetate

Name: Sodium(E)-alpha-[(3-methoxy-1-methyl-3-oxo-1-propenyl)amino]cyclohexa-1,4-diene-1-acetate
SKU: ACM93939801
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CAS

93939-80-1

Catalog Number

ACM93939801

Category

Other Products

Molecular Weight

273.260210 [g/mol]

Molecular Formula

C₁₃H₁₇NO₄Na

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Specification

Synonyms

MolPort-005-937-101, EINECS 256-537-8, EINECS 300-370-6, CID6452190, AC-18000, D-(-)-Dihydro Phenylglycine Sodium Dane Salt, Sodium alpha-((3-methoxy-1-methyl-3-oxo-1-propenyl)amino)cyclohexa-1,4-diene-1-acetate, 50316-92-2, 93939-80-1, Sodium (E)-alpha-((3-methoxy-1-methyl-3-oxo-1-propenyl)amino)cyclohexa-1,4-diene-1-acetate

IUPAC Name

sodium 2-cyclohexa-1,4-dien-1-yl-2-[[(E)-4-methoxy-4-oxobut-2-en-2-yl]amino]acetate

Canonical SMILES

CC(=CC(=O)OC)NC(C1=CCC=CC1)C(=O)[O-].[Na+]

InChI Key

XWVDGMIXJIIFTO-HRNDJLQDSA-M

EC Number

256-537-8

H-Bond Acceptor

H-Bond Donor

What is the molecular formula of Sodium(E)-alpha-[(3-methoxy-1-methyl-3-oxo-1-propenyl)amino]cyclohexa-1,4-diene-1-acetate?

The molecular formula of Sodium(E)-alpha-[(3-methoxy-1-methyl-3-oxo-1-propenyl)amino]cyclohexa-1,4-diene-1-acetate is C13H16NNaO4.

What is the molecular weight of Sodium(E)-alpha-[(3-methoxy-1-methyl-3-oxo-1-propenyl)amino]cyclohexa-1,4-diene-1-acetate?

The molecular weight of Sodium(E)-alpha-[(3-methoxy-1-methyl-3-oxo-1-propenyl)amino]cyclohexa-1,4-diene-1-acetate is 273.26 g/mol.

What is the IUPAC name of Sodium(E)-alpha-[(3-methoxy-1-methyl-3-oxo-1-propenyl)amino]cyclohexa-1,4-diene-1-acetate?

The IUPAC name of Sodium(E)-alpha-[(3-methoxy-1-methyl-3-oxo-1-propenyl)amino]cyclohexa-1,4-diene-1-acetate is sodium;2-cyclohexa-1,4-dien-1-yl-2-[[(E)-4-methoxy-4-oxobut-2-en-2-yl]amino]acetate.

What is the InChI of Sodium(E)-alpha-[(3-methoxy-1-methyl-3-oxo-1-propenyl)amino]cyclohexa-1,4-diene-1-acetate?

The InChI of Sodium(E)-alpha-[(3-methoxy-1-methyl-3-oxo-1-propenyl)amino]cyclohexa-1,4-diene-1-acetate is InChI=1S/C13H17NO4.Na/c1-9(8-11(15)18-2)14-12(13(16)17)10-6-4-3-5-7-10;/h3-4,7-8,12,14H,5-6H2,1-2H3,(H,16,17);/q;+1/p-1/b9-8+.

What is the canonical SMILES of Sodium(E)-alpha-[(3-methoxy-1-methyl-3-oxo-1-propenyl)amino]cyclohexa-1,4-diene-1-acetate?

The canonical SMILES of Sodium(E)-alpha-[(3-methoxy-1-methyl-3-oxo-1-propenyl)amino]cyclohexa-1,4-diene-1-acetate is CC(=CC(=O)OC)NC(C1=CCC=CC1)C(=O)[O-].[Na+].

What is the CAS number of Sodium(E)-alpha-[(3-methoxy-1-methyl-3-oxo-1-propenyl)amino]cyclohexa-1,4-diene-1-acetate?

The CAS number of Sodium(E)-alpha-[(3-methoxy-1-methyl-3-oxo-1-propenyl)amino]cyclohexa-1,4-diene-1-acetate is 50316-92-2.

How many hydrogen bond donor counts does Sodium(E)-alpha-[(3-methoxy-1-methyl-3-oxo-1-propenyl)amino]cyclohexa-1,4-diene-1-acetate have?

Sodium(E)-alpha-[(3-methoxy-1-methyl-3-oxo-1-propenyl)amino]cyclohexa-1,4-diene-1-acetate has 1 hydrogen bond donor count.

How many hydrogen bond acceptor counts does Sodium(E)-alpha-[(3-methoxy-1-methyl-3-oxo-1-propenyl)amino]cyclohexa-1,4-diene-1-acetate have?

Sodium(E)-alpha-[(3-methoxy-1-methyl-3-oxo-1-propenyl)amino]cyclohexa-1,4-diene-1-acetate has 5 hydrogen bond acceptor counts.

How many rotatable bond counts does Sodium(E)-alpha-[(3-methoxy-1-methyl-3-oxo-1-propenyl)amino]cyclohexa-1,4-diene-1-acetate have?

Sodium(E)-alpha-[(3-methoxy-1-methyl-3-oxo-1-propenyl)amino]cyclohexa-1,4-diene-1-acetate has 6 rotatable bond counts.

What is the topological polar surface area of Sodium(E)-alpha-[(3-methoxy-1-methyl-3-oxo-1-propenyl)amino]cyclohexa-1,4-diene-1-acetate?

The topological polar surface area of Sodium(E)-alpha-[(3-methoxy-1-methyl-3-oxo-1-propenyl)amino]cyclohexa-1,4-diene-1-acetate is 78.5 ?2.