| CAS Number | 953906-47-3 |
| Catalog Number | AG01AAQ0(AGN-PC-0WO81I) |
| Chemical Name | 1-(cyclopropylmethyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid |
| IUPAC Name | 1-(cyclopropylmethyl)-2,5-dimethylpyrrole-3-carboxylic acid |
| InChI | InChI=1S/C11H15NO2/c1-7-5-10(11(13)14)8(2)12(7)6-9-3-4-9/h5,9H,3-4,6H2,1-2H3,(H,13,14) |
| InChI Key | IRPSDSAYDMWHCN-UHFFFAOYSA-N |
| MDL Number | MFCD09735304 |
| Molecular Formula | C11H15NO2 |
| Molecular Weight | 193.2423 |
| SMILES | CC1N(CC2CC2)C(C)=C(C(O)=O)C=1 |
| Synonyms | 1-(cyclopropylmethyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid,
953906-47-3,
AC1Q2HQP,
CTK7I6991,
ZINC22212771,
AKOS000143099,
MCULE-2932595659,
NE56921,
EN300-69261,
Z1171978900,
|
| Complexity | 237 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 193.11g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 193.246g/mol |
| Monoisotopic Mass | 193.11g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 42.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
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Certificate of Analysis
Lot Number