4-(Ethoxycarbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid
Properties
- Molecular formula
- C10H13NO4
- Molar mass
- 211.22 g/mol
- Exact mass
- 211.0845 Da
- logP
- 1.51Crippen estimate
- Polar surface area
- 79.4 Ų
- H-bond donors / acceptors
- 2 / 3
- Rotatable bonds
- 3
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation100% of notifiers
Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
5442-91-1SMILES
CCOC(=O)C1=C(NC(=C1C)C(=O)O)CInChIKey
DXKYHAPIBYYLJR-UHFFFAOYSA-NInChI
InChI=1S/C10H13NO4/c1-4-15-10(14)7-5(2)8(9(12)13)11-6(7)3/h11H,4H2,1-3H3,(H,12,13)Weigh it out
Type any one amount. The others follow from the molar mass.
Work with 4-(Ethoxycarbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid
Similar compounds
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3-Acetyl-4,5-dimethyl-1H-pyrrole-2-carboxylic acid2386-33-648 % similar
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Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds