| CAS Number | 871819-39-5 |
| Catalog Number | AG00IEEZ(AGN-PC-076IWG) |
| Chemical Name | 1H-Pyrrole-2-acetic acid, 3-(methoxycarbonyl)-1-methyl-, methyl ester |
| IUPAC Name | methyl 2-(2-methoxy-2-oxoethyl)-1-methylpyrrole-3-carboxylate |
| InChI | InChI=1S/C10H13NO4/c1-11-5-4-7(10(13)15-3)8(11)6-9(12)14-2/h4-5H,6H2,1-3H3 |
| InChI Key | CLBGCMDZUUDOBQ-UHFFFAOYSA-N |
| MDL Number | MFCD17214380 |
| Molecular Formula | C10H13NO4 |
| Molecular Weight | 211.2145 |
| SMILES | COC(=O)Cc1c(C(=O)OC)ccn1C |
| Synonyms | 871819-39-5,
methyl 2-(2-methoxy-2-oxoethyl)-1-methyl-1H-pyrrole-3-carboxylate,
METHYL 3-(METHOXYCARBONYL)-1-METHYL-1H-PYRROLE-2-ACETATE,
SCHEMBL3987342,
CLBGCMDZUUDOBQ-UHFFFAOYSA-N,
KS-000003CZ,
MFCD17214380,
ZINC95707961,
AKOS025290806,
PB25642,
AK170647,
AS-51219,
CS-0049213,
Q-1257,
methyl 2-(2-methoxy-2-oxoethyl)-1-methylpyrrole-3-carboxylate,
Methyl 2-(2-methoxy-2-oxo-ethyl)-1-methyl-pyrrole-3-carboxylate,
1H-Pyrrole-2-acetic acid, 3-(methoxycarbonyl)-1-methyl-, methyl ester,
2-Methoxycarbonylmethyl-1-methyl-1H-pyrrole-3-carboxylic acid methyl ester,
methyl 1-methyl-2-[2-(methyloxy)-2-oxoethyl]-1H-pyrrole-3-carboxylate,
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| Complexity | 254 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 211.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 211.217g/mol |
| Monoisotopic Mass | 211.084g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 57.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
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Certificate of Analysis
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