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Structure

[(4-Methoxyphenyl)methyl]hydrogen(4-hydroxyphenyl)malonate

CAS
78641-40-4
Catalog Number
ACM78641404
Category
Other Products
Molecular Weight
316.30534
Molecular Formula
C17H16O6

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Specification

Synonyms
[(4-methoxyphenyl)methyl] hydrogen (4-hydroxyphenyl)malonate;2-(4-Hydroxyphenyl)propanedioic acid hydrogen 1-(4-methoxyphenylmethyl) ester;2-(4-Hydroxyphenyl)propanedioic acid 1-[(4-methoxyphenyl)methyl] ester;7-Side chain of Latamoxef;Propanedioic acid,2-(4-hydroxyphenyl)-, 1-[(4-Methoxyphenyl)Methyl] ester;2-(4-Hydroxyphenyl)-3-((4-methoxybenzyl)-oxy)-3-oxopropanoic acid
What is the molecular formula of the compound with PubChem CID 44147396?

The molecular formula is C17H16O6.

What is the molecular weight of the compound?

The molecular weight is 316.30 g/mol.

What is the IUPAC name of the compound?

The IUPAC name is 2-(4-hydroxyphenyl)-3-[(4-methoxyphenyl)methoxy]-3-oxopropanoic acid.

What is the InChI key of the compound?

The InChI key is JHALLYTYXLWETG-UHFFFAOYSA-N.

How many hydrogen bond donor counts does the compound have?

The compound has 2 hydrogen bond donor counts.

What is the topological polar surface area of the compound?

The topological polar surface area is 93.1 Ų.

Does the compound have any defined bond stereocenter count?

No, the compound does not have any defined bond stereocenter count.

What is the formal charge of the compound?

The formal charge of the compound is 0.

What is the XLogP3-AA value of the compound?

The XLogP3-AA value is 2.6.

Is the compound canonicalized?

Yes, the compound is canonicalized.

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