3,4-Dihydroxyphenylacetone

• CAS: 2503-44-8
• Catalog Number: ACM2503448
• Category: Other Products
• Molecular Weight: 166.17
• Molecular Formula: C₉H₁₀O₃
• Synonyms: Dopamine impurity 9
• IUPAC Name: 1-(3,4-Dihydroxyphenyl)propan-2-one
• Canonical SMILES: CC(=O)CC1=CC(=C(C=C1)O)O
• InChI: InChI=1S/C9H10O3/c1-6(10)4-7-2-3-8(11)9(12)5-7/h2-3,5,11-12H,4H2,1H3
• InChI Key: JQXBETDGCMQLMK-UHFFFAOYSA-N
• Boiling Point: 170-173 °C
• Melting Point: 30 °C
• Density: 1.251±0.06 g/cm³
• Exact Mass: 166.062994177
• Hazard Statements: Xi
• Monoisotopic Mass: 166.062994177
• Physical State: Powder
• Safety Description: 26
• Storage Conditions: Dry place,under -20 °C
• Supplemental Hazard Statements: H315-H319-H335
• Symbol: GHS07
• Topological Polar Surface Area: 57.5 Ų

Custom Q&A

What is the molecular formula of 3,4-Dihydroxyphenylacetone?

The molecular formula of 3,4-Dihydroxyphenylacetone is C9H10O3.

What is the molecular weight of 3,4-Dihydroxyphenylacetone?

The molecular weight of 3,4-Dihydroxyphenylacetone is 166.17 g/mol.

What are some synonyms for 3,4-Dihydroxyphenylacetone?

Some synonyms for 3,4-Dihydroxyphenylacetone include 1-(3,4-dihydroxyphenyl)propan-2-one and 3',4'-Dihydroxyphenylacetone.

When was 3,4-Dihydroxyphenylacetone created and last modified?

3,4-Dihydroxyphenylacetone was created on July 19, 2005, and last modified on December 30, 2023.

What is the IUPAC name of 3,4-Dihydroxyphenylacetone?

The IUPAC name of 3,4-Dihydroxyphenylacetone is 1-(3,4-dihydroxyphenyl)propan-2-one.

What is the InChIKey of 3,4-Dihydroxyphenylacetone?

The InChIKey of 3,4-Dihydroxyphenylacetone is JQXBETDGCMQLMK-UHFFFAOYSA-N.

What is the Canonical SMILES representation of 3,4-Dihydroxyphenylacetone?

The Canonical SMILES representation of 3,4-Dihydroxyphenylacetone is CC(=O)CC1=CC(=C(C=C1)O)O.

What is the CAS number for 3,4-Dihydroxyphenylacetone?

The CAS number for 3,4-Dihydroxyphenylacetone is 2503-44-8.

What is the XLogP3 value for 3,4-Dihydroxyphenylacetone?

The XLogP3 value for 3,4-Dihydroxyphenylacetone is 0.6.

How many hydrogen bond donor counts are there in 3,4-Dihydroxyphenylacetone?

There are 2 hydrogen bond donor counts in 3,4-Dihydroxyphenylacetone.