| CAS Number | 630128-54-0 |
| Catalog Number | AG00J2IE(AGN-PC-02Z2OS) |
| Chemical Name | 5-Ethyl-1H-pyrrole-2-carboxylic acid |
| IUPAC Name | 5-ethyl-1H-pyrrole-2-carboxylic acid |
| InChI | InChI=1S/C7H9NO2/c1-2-5-3-4-6(8-5)7(9)10/h3-4,8H,2H2,1H3,(H,9,10) |
| InChI Key | ZUSDXYWZVXGILO-UHFFFAOYSA-N |
| MDL Number | MFCD22071090 |
| Molecular Formula | C7H9NO2 |
| Molecular Weight | 139.1519 |
| SMILES | C1(=CC=C(CC)N1)C(O)=O |
| Synonyms | 5-ethyl-1H-pyrrole-2-carboxylic acid,
630128-54-0,
1H-Pyrrole-2-carboxylic acid, 5-ethyl-,
SCHEMBL13614152,
CTK2B0072,
DTXSID30609702,
ZX-CM009757,
MFCD22071090,
STL553847,
ZINC76819524,
AKOS022060337,
FCH1596143,
CS-0089412,
Y-8471,
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| Complexity | 136 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 139.063g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 139.154g/mol |
| Monoisotopic Mass | 139.063g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 53.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
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Certificate of Analysis
Lot Number