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Structure

4-Isoxazolecarboxylic acid,4,5-dihydro-3-[(3-methoxyphenyl)methyl]-

CAS
959038-90-5
Catalog Number
ACM959038905
Category
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What is the molecular formula of 4-Isoxazolecarboxylic acid,4,5-dihydro-3-[(3-methoxyphenyl)methyl]-?

The molecular formula is C12H13NO4.

What are the synonyms for 4-Isoxazolecarboxylic acid,4,5-dihydro-3-[(3-methoxyphenyl)methyl]-?

The synonyms are 959038-90-5 and Isoxazole-4-carboxylic acid, 3-(3-methoxybenzyl)-4,5-dihydro-.

What is the molecular weight of 4-Isoxazolecarboxylic acid,4,5-dihydro-3-[(3-methoxyphenyl)methyl]-?

The molecular weight is 235.24 g/mol.

What is the IUPAC name of 4-Isoxazolecarboxylic acid,4,5-dihydro-3-[(3-methoxyphenyl)methyl]-?

The IUPAC name is 3-[(3-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole-4-carboxylic acid.

What is the InChI of 4-Isoxazolecarboxylic acid,4,5-dihydro-3-[(3-methoxyphenyl)methyl]-?

The InChI is InChI=1S/C12H13NO4/c1-16-9-4-2-3-8(5-9)6-11-10(12(14)15)7-17-13-11/h2-5,10H,6-7H2,1H3,(H,14,15).

What is the InChIKey of 4-Isoxazolecarboxylic acid,4,5-dihydro-3-[(3-methoxyphenyl)methyl]-?

The InChIKey is HFADDMXWPKCRRJ-UHFFFAOYSA-N.

What is the canonical SMILES of 4-Isoxazolecarboxylic acid,4,5-dihydro-3-[(3-methoxyphenyl)methyl]-?

The canonical SMILES is COC1=CC=CC(=C1)CC2=NOCC2C(=O)O.

What is the XLogP3-AA value of 4-Isoxazolecarboxylic acid,4,5-dihydro-3-[(3-methoxyphenyl)methyl]-?

The XLogP3-AA value is 1.5.

How many hydrogen bond donor counts are there in 4-Isoxazolecarboxylic acid,4,5-dihydro-3-[(3-methoxyphenyl)methyl]-?

There is 1 hydrogen bond donor count.

How many hydrogen bond acceptor counts are there in 4-Isoxazolecarboxylic acid,4,5-dihydro-3-[(3-methoxyphenyl)methyl]-?

There are 5 hydrogen bond acceptor counts.

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