5-Hydroxy-1-methyl-1H-pyrazole-3-carboxylic acid methyl ester
Properties
- Molecular formula
- C6H8N2O3
- Molar mass
- 156.14 g/mol
- Exact mass
- 156.0535 Da
- logP
- -0.50Crippen estimate
- Polar surface area
- 64.1 Ų
- H-bond donors / acceptors
- 1 / 3
- Rotatable bonds
- 1
Hazards
Warning
- H302+H312+H332 Harmful if swallowed, in contact with skin or if inhaled50% of notifiers
- H302 Harmful if swallowed50% of notifiers
- H312 Harmful in contact with skin50% of notifiers
- H315 Causes skin irritation50% of notifiers
- H319 Causes serious eye irritation50% of notifiers
- H332 Harmful if inhaled50% of notifiers
- H335 May cause respiratory irritation50% of notifiers
Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
51985-95-6SMILES
CN1C(=O)C=C(N1)C(=O)OCInChIKey
LWNUKBMQSHAGKD-UHFFFAOYSA-NInChI
InChI=1S/C6H8N2O3/c1-8-5(9)3-4(7-8)6(10)11-2/h3,7H,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass.
Work with 5-Hydroxy-1-methyl-1H-pyrazole-3-carboxylic acid methyl ester
Similar compounds
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1,3-Dimethyl-5-hydroxypyrazole5203-77-044 % similar
1-Methyl-3-(trifluoromethyl)-1H-pyrazol-5-ol122431-37-244 % similar
Methyl 1H-indole-2-carboxylate1202-04-643 % similar
Dimethyl 1H-pyrazole-3,5-dicarboxylate4077-76-343 % similar
Methyl 3-hydroxy-5-isoxazolecarboxylate10068-07-241 % similar
Methyl 4-bromo-1H-pyrrole-2-carboxylate934-05-441 % similar
Trimethyl benzene-1,3,5-tricarboxylate2672-58-441 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.