Methyl 3-(2,4-Dihydroxyphenyl)Propionate

• CAS: 17422-90-1
• Catalog Number: ACM17422901
• Category: Other Products
• Molecular Weight: 196.2
• Molecular Formula: C10H12O4
• Synonyms: Methyl 3-(2,4-dihydroxyphenyl)propionate;Methyl 3-(2,4-dihydroxyphenyl)propanoate
• IUPAC Name: methyl 3-(2,4-dihydroxyphenyl)propanoate
• SMILES: COC(=O)CCC1=C(C=C(C=C1)O)O
• InChI: InChI=1S/C10H12O4/c1-14-10(13)5-3-7-2-4-8(11)6-9(7)12/h2,4,6,11-12H,3,5H2,1H3
• InChI Key: AGDUPZONPGNRJL-UHFFFAOYSA-N
• Appearance: Oil

Custom Q&A

What is the molecular formula of Methyl 3-(2,4-dihydroxyphenyl)propionate?

The molecular formula is C10H12O4.

What is the molecular weight of Methyl 3-(2,4-dihydroxyphenyl)propionate?

The molecular weight is 196.20 g/mol.

What is the IUPAC name of Methyl 3-(2,4-dihydroxyphenyl)propionate?

The IUPAC name is methyl 3-(2,4-dihydroxyphenyl)propanoate.

What is the InChI of Methyl 3-(2,4-dihydroxyphenyl)propionate?

The InChI is InChI=1S/C10H12O4/c1-14-10(13)5-3-7-2-4-8(11)6-9(7)12/h2,4,6,11-12H,3,5H2,1H3.

What is the InChIKey of Methyl 3-(2,4-dihydroxyphenyl)propionate?

The InChIKey is AGDUPZONPGNRJL-UHFFFAOYSA-N.

What is the Canonical SMILES of Methyl 3-(2,4-dihydroxyphenyl)propionate?

The Canonical SMILES is COC(=O)CCC1=C(C=C(C=C1)O)O.

What is the XLogP3-AA value of Methyl 3-(2,4-dihydroxyphenyl)propionate?

The XLogP3-AA value is 1.3.

How many hydrogen bond donor counts does Methyl 3-(2,4-dihydroxyphenyl)propionate have?

It has 2 hydrogen bond donor counts.

What is the topological polar surface area of Methyl 3-(2,4-dihydroxyphenyl)propionate?

The topological polar surface area is 66.8 ².

Is Methyl 3-(2,4-dihydroxyphenyl)propionate a canonicalized compound?

Yes, it is a canonicalized compound according to PubChem.