Basic information
- CAS
918-44-5- Standard SMILES
CC(=O)C(C)(O)C(=O)O- InChIKey
NMDWGEGFJUBKLB-UHFFFAOYSA-N- Molecular formula
- C5H8O4
- Average molar mass
- 132.11 g/mol
- Monoisotopic mass
- 132.04225873
Names & identifiers
- Preferred name
- 2-Acetolactate
- IUPAC
- 2-hydroxy-2-methyl-3-oxobutanoic acid
- English name
- 2-Hydroxy-2-methyl-3-oxobutanoicacid
- Molecular formula
- C5H8O4
- Molecular weight
- 132.11
Names & synonyms
2-Acetolactate918-44-5DTXSID801343582RefChem:935402DTXCID109640882-hydroxy-2-methyl-3-oxobutanoic acidDL-Acetolactic acidButanoic acid, 2-hydroxy-2-methyl-3-oxo-2-acetyllactic acidQV9C4ZW4PY2-Acetolactic acid, (+/-)-2-HYDROXY-2-METHYL-3-OXO-BUTANOIC ACID
Show more names
Metaraminol Impurity 8NMDWGEGFJUBKLB-UHFFFAOYSA-N
Acetoacetic acid, 2-hydroxy-2-methyl-UNII-QV9C4ZW4PYSCHEMBL61227BDBM82146CHEBI:16444LMFA01050472AKOS006380884C00900
Database identifiers
- CAS
918-44-5- PubChem CID
- 22
- DTXSID
DTXSID801343582- ChEBI
CHEBI:16444- UNII
- QV9C4ZW4PY
- Nikkaji
- J431.537E
Properties
Computed structural properties
- XLogP
- -0.7
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 151
Physicochemical properties
- Boiling point
- 284.7 · 284.7±25.0 °C(Predicted)
- Density
- 1.316 · 1.316±0.06 g/cm3(Predicted)
- pka
- 2.65 · 2.65±0.36(Predicted)
- FDA UNII
- 9 C4ZW4PY · QV9C4ZW4PY
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers9 total
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
深圳摩科生化科技有限公司18627923403 · [email protected]
广州市桐晖药业有限公司020-66392521-118 18922260391 · [email protected]
湖北摩科化学有限公司18627753421; 18627756402 · [email protected]
深圳市恒丰万达医药科技有限公司13986652530 · [email protected]
常州翔龙医药科技有限公司18661161657 · [email protected]
BOC Sciences+1-631-485-4226 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…