| CAS Number | 879214-82-1 |
| Catalog Number | AG00IETK(AGN-PC-0OLCT6) |
| Chemical Name | Methyl 2-ethyl-1H-pyrrole-3-carboxylate |
| IUPAC Name | methyl 2-ethyl-1H-pyrrole-3-carboxylate |
| InChI | InChI=1S/C8H11NO2/c1-3-7-6(4-5-9-7)8(10)11-2/h4-5,9H,3H2,1-2H3 |
| InChI Key | FWZOVQKKSCXOHE-UHFFFAOYSA-N |
| MDL Number | MFCD12923910 |
| Molecular Formula | C8H11NO2 |
| Molecular Weight | 153.1784 |
| SMILES | CCC1=C(C(OC)=O)C=CN1 |
| Synonyms | Methyl 2-ethyl-1H-pyrrole-3-carboxylate,
879214-82-1,
1H-Pyrrole-3-carboxylic acid, 2-ethyl-, methyl ester,
2-ETHYL-1H-PYRROLE-3-CARBOXYLIC ACID METHYL ESTER,
MFCD12923910,
ZINC88189870,
AKOS025395991,
CS-W007254,
DS-8500,
AK173442,
L-1900,
Z2050725019,
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| Complexity | 147 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 153.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 153.181g/mol |
| Monoisotopic Mass | 153.079g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 42.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number