methyl 2-(3-hydroxy-1H-pyrazol-5-yl)acetate
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Basic information
- CAS
58979-88-7- Standard SMILES
COC(=O)Cc1cc(=O)[nH][nH]1- InChIKey
ILAOSMPTMZUXHD-UHFFFAOYSA-N- Molecular formula
- C6H8N2O3
- Average molar mass
- 156.14 g/mol
- Monoisotopic mass
- 156.05349212
Names & identifiers
- Preferred name
- methyl 2-(3-hydroxy-1H-pyrazol-5-yl)acetate
- IUPAC
- methyl 2-(5-oxo-1,2-dihydropyrazol-3-yl)acetate
- English name
- 1H-Pyrazole-3-acetic acid, 2,5-dihydro-5-oxo-, methyl ester
- Molecular formula
- C6H8N2O3
- Molecular weight
- 156.14
Names & synonyms
methyl 2-(3-hydroxy-1H-pyrazol-5-yl)acetate58979-88-7NSC281688CHEMBL4541020SCHEMBL29184279DTXSID503142451H-Pyrazole-3-acetic acid, 2,5-dihydro-5-oxo-, methyl ester1H-Pyrazole-3-acetic acid, 2,5-dihydro-5-oxo-, methyl esterAKOS004123355NSC-281688DB-323018methyl2-(3-hydroxy-1H-pyrazol-5-yl)acetate
Show more names
EN300-51881AB01005440-01Methyl (5-oxo-2,5-dihydro-1H-pyrazol-3-yl)acetate
Database identifiers
- CAS
58979-88-7- PubChem CID
- 322984
- DTXSID
DTXSID50314245- ChEMBL
CHEMBL4541020
Properties
Computed structural propertiesFilling in
- XLogP
- -0.5
- Topological polar surface area
- 67.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 222
Physicochemical properties
- storage temp.
- Store at Room Tem.
- Symbol(GHS)
- 7 · GHS07
- Signal word
- warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405
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
- Signal word
- warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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