methyl 2-(5-oxo-4,5-dihydro-1H-pyrazol-3-yl)acetate
Basic information
- CAS
501006-40-2- Standard SMILES
COC(=O)CC1=NNC(=O)C1- InChIKey
MZUTZMLMSKQUJR-UHFFFAOYSA-N- Molecular formula
- C6H8N2O3
- Average molar mass
- 156.14 g/mol
- Monoisotopic mass
- 156.05349212
Names & identifiers
- Preferred name
- methyl 2-(5-oxo-4,5-dihydro-1H-pyrazol-3-yl)acetate
- IUPAC
- methyl 2-(5-oxo-1,4-dihydropyrazol-3-yl)acetate
- English name
- 1H-Pyrazole-3-acetic acid, 4,5-dihydro-5-oxo-, methyl ester
- Molecular formula
- C6H8N2O3
- Molecular weight
- 156.14
Names & synonyms
501006-40-2methyl 2-(5-oxo-4,5-dihydro-1H-pyrazol-3-yl)acetatemethyl 2-(5-oxo-1,4-dihydropyrazol-3-yl)acetate1H-Pyrazole-3-acetic acid, 4,5-dihydro-5-oxo-, methyl ester1H-Pyrazole-3-acetic acid, 4,5-dihydro-5-oxo-, methyl esterNSC281683DTXSID70314242NSC-281683Methyl (5-oxo-4,5-dihydro-1H-pyrazol-3-yl)acetatemethyl2-(5-oxo-4,5-dihydro-1H-pyrazol-3-yl)acetateMethyl 4,5-Dihydro-5-oxo-1H-pyrazole-3-acetate
Database identifiers
- CAS
501006-40-2- PubChem CID
- 322981
- DTXSID
DTXSID70314242
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 67.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 222
Physicochemical properties
- Comptox DTXSID
- 70314242 · DTXSID70314242
- HS Code
- 2933199090 · 2933199090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2933199090
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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