| CAS Number | 63794-75-2 |
| Catalog Number | AG00EE7B(AGN-PC-02PQAK) |
| Chemical Name | 2-(1H-Pyrrol-1-yl)butanoic acid |
| IUPAC Name | 2-pyrrol-1-ylbutanoic acid |
| InChI | InChI=1S/C8H11NO2/c1-2-7(8(10)11)9-5-3-4-6-9/h3-7H,2H2,1H3,(H,10,11) |
| InChI Key | BAAAPDYRIGZLBL-UHFFFAOYSA-N |
| MDL Number | MFCD09971286 |
| Molecular Formula | C8H11NO2 |
| Molecular Weight | 153.1784 |
| SMILES | CCC(N1C=CC=C1)C(O)=O |
| Synonyms | 2-(1H-PYRROL-1-YL)BUTANOIC ACID,
63794-75-2,
SCHEMBL3876229,
CTK5B9873,
DTXSID30601387,
2-(1H-Pyrrole-1-yl)butyric acid,
MFCD09971286,
AKOS009507301,
2-(1H-Pyrrol-1-yl)butanoic acid, AldrichCPR,
Y-6190,
2- butanoicacid,
2-(1H-Pyrrol-1-yl)butanoicacid,
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| Complexity | 141 |
| 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 | 42.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
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Certificate of Analysis
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