3-(3,5-Dimethoxy-phenyl)-3-oxo-propionic acid ethyl ester

CAS
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CAS
97025-16-6
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Purity
96%
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Catalog Number

ACM97025166

Product Name

3-(3,5-Dimethoxy-phenyl)-3-oxo-propionic acid ethyl ester

Structure

Structure

CAS

97025-16-6

Category

Heterocyclic Organic Compound

Synonyms

ZINC02575925, AC1MBY82, SureCN1528398, ethyl 3-(3,5-dimethoxyphenyl)-3-oxopropanoate, 3,5-dimethoxy-beta-oxo-benzenepropanoic acid ethyl ester, 3-(3,5-dimethoxyphenyl)-3-oxo-propionic acidethyl ester, 3-(3,5-Dimethoxy-phenyl)-3-oxo-propionic acid ethyl ester, 3-(3,5-dimethoxy-phenyl)-3-oxo-propionic acidethyl ester, 3-(3,5-dimethoxyphenyl)-3-oxo-propionic acid ethyl ester, 97025-16-6

IUPAC Name

ethyl 3-(3,5-dimethoxyphenyl)-3-oxopropanoate

Molecular Weight

252.263140 [g/mol]

Molecular Formula

C₁₃H₁₆O₅

Canonical SMILES

CCOC(=O)CC(=O)C1=CC(=CC(=C1)OC)OC

InChI Key

RFAPZUBGJSLLKW-UHFFFAOYSA-N

Boiling Point

344.819ºC at 760 mmHg

Flash Point

170.292ºC

Density

1.136 g/cm³

Exact Mass

252.10000

H-Bond Acceptor

5

H-Bond Donor

0

MSDS

COA

Spec Sheet

Download Spec Sheet

What is the molecular formula of the compound?

The molecular formula is C13H16O5.

How is the compound also known in the literature?

It is also known as ethyl 3-(3,5-dimethoxyphenyl)-3-oxopropanoate and 3-(3,5-Dimethoxy-phenyl)-3-oxo-propionic acid ethyl ester.

When was the compound first created?

It was first created on July 19, 2005.

What is the molecular weight of the compound?

The molecular weight is 252.26 g/mol.

What is the InChI of the compound?

The InChI is InChI=1S/C13H16O5/c1-4-18-13(15)8-12(14)9-5-10(16-2)7-11(6-9)17-3/h5-7H,4,8H2,1-3H3.

How many hydrogen bond donors are there in the compound?

There are 0 hydrogen bond donors.

How many rotatable bonds are present in the compound?

There are 7 rotatable bonds.

What is the exact mass of the compound?

The exact mass is 252.09977361 g/mol.

Is the compound canonicalized?

Yes, the compound is canonicalized.

How many covalently-bonded units are present in the compound?

There is 1 covalently-bonded unit.

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