| CAS Number | 1216778-27-6 |
| Catalog Number | AG00J3US(AGN-PC-0WB7O3) |
| Chemical Name | 5-(1-pyrrolidinylmethyl)-2-furoic acid hydrochloride |
| IUPAC Name | 5-(pyrrolidin-1-ylmethyl)furan-2-carboxylic acid;hydrochloride |
| InChI | InChI=1S/C10H13NO3.ClH/c12-10(13)9-4-3-8(14-9)7-11-5-1-2-6-11;/h3-4H,1-2,5-7H2,(H,12,13);1H |
| InChI Key | RTUSMENXMORVPM-UHFFFAOYSA-N |
| MDL Number | MFCD13194085 |
| Molecular Formula | C10H14ClNO3 |
| Molecular Weight | 231.6761 |
| SMILES | C1(=CC=C(CN2CCCC2)O1)C(O)=O.Cl |
| Synonyms | 1216778-27-6,
5-(1-pyrrolidinylmethyl)-2-furoic acid hydrochloride,
5-(Pyrrolidin-1-ylmethyl)furan-2-carboxylic acid hydrochloride,
ZX-CM017181,
MFCD13194085,
AKOS027426164,
|
| Complexity | 213 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 231.066g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 231.676g/mol |
| Monoisotopic Mass | 231.066g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 53.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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