Basic information
- CAS
5466-89-7- Standard SMILES
CC(C)C(=O)c1ccc(O)c(O)c1- InChIKey
VDQLKIBLTMPAHI-UHFFFAOYSA-N- Molecular formula
- C10H12O3
- Average molar mass
- 180.2 g/mol
- Monoisotopic mass
- 180.07864424
Overview
U 0521 is a member of acetophenones.
Names & identifiers
- Preferred name
- 1-(3,4-Dihydroxyphenyl)-2-methyl-1-propanone
- IUPAC
- 1-(3,4-dihydroxyphenyl)-2-methylpropan-1-one
- English name
- 3',4'-Dihydroxy-2-methylpropiophenone
- Molecular formula
- C10H12O3
- Molecular weight
- 180.2
Names & synonyms
5466-89-7U-0521U 0521DTXSID402031191-(3,4-Dihydroxyphenyl)-2-methyl-1-propanoneU0521RefChem:192774DTXCID901256101-(3,4-dihydroxyphenyl)-2-methylpropan-1-one3',4'-Dihydroxy-2-methylpropiophenone1-Propanone, 1-(3,4-dihydroxyphenyl)-2-methyl-MLS000738074
Show more names
U-0521,98+%U0521,U 05213’,4’-dihydroxyisobutyrophenone3’,4’-dihydroxy-isobutyrophenon3',4'-Dihydroxy-α-methylpropiophenone3’,4’-dihydroxy-2-methyl-propiophenon1-(3,4-dihydroxyphenyl)-2-methyl-1-propanon
CHEMBL3531873',4'-DihydroxyisobutyrophenoneNSC 27389BRN 20934323',4'-Dihydroxy-alpha-methylpropiophenonePropiophenone, 3',4'-dihydroxy-2-methyl-ISOBUTYROPHENONE, 3',4'-DIHYDROXY-Propiophenone, 3',4'-dihydroxy-alpha-methyl-
Database identifiers
- CAS
5466-89-7- PubChem CID
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 189
Physicochemical properties
- Melting point
- 79 · 79-81℃
- Boiling point
- 372.2 · 372.2±27.0 °C(Predicted)
- Density
- 1.191 · 1.191±0.06 g/cm3(Predicted)
- RTECS
- 5605000 · NQ5605000
- storage temp.
- -20 °C · -20°C Freezer
- solubility
- Chloroform (Slightly), DMSO (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
- form
- White solid.
- pka
- 8.77 · 8.77±0.31(Predicted)
- color
- Off-White to Pale Beige
Chemistry & industry
Applications
UsesU-0521 is an extraneuronal COMT uptake inhibitor.
Suppliers15 total
杭州品高化工有限公司0571-87658025 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
上海昂提生物科技有限公司13764913901 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
上海芮晖化工科技有限公司021-31433387 15618786686 · [email protected]
ATK CHEMICAL COMPANY LIMITED+undefined-21-51877795 · [email protected]
Aladdin Scientific[email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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