| CAS Number | 1251102-81-4 |
| Catalog Number | AG01DTCT |
| Chemical Name | 1-(1H-pyrrol-1-yl)cyclopentane-1-carboxylic acid |
| IUPAC Name | 1-pyrrol-1-ylcyclopentane-1-carboxylic acid |
| InChI | InChI=1S/C10H13NO2/c12-9(13)10(5-1-2-6-10)11-7-3-4-8-11/h3-4,7-8H,1-2,5-6H2,(H,12,13) |
| InChI Key | ALVZLIHRWQLKTP-UHFFFAOYSA-N |
| MDL Number | MFCD14618298 |
| Molecular Formula | C10H13NO2 |
| Molecular Weight | 179.2157 |
| SMILES | OC(C1(N2C=CC=C2)CCCC1)=O |
| Synonyms | 1-(1H-pyrrol-1-yl)cyclopentane-1-carboxylic acid,
1251102-81-4,
ZINC41032997,
AKOS010544669,
F2185-0531,
|
| Complexity | 203 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 179.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 179.219g/mol |
| Monoisotopic Mass | 179.095g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 42.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
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Certificate of Analysis
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