| CAS Number | 1215322-31-8 |
| Catalog Number | AG00J108(AGN-PC-0WB684) |
| Chemical Name | 1,3-dihydro-2H-isoindol-2-ylacetic acid hydrochloride |
| IUPAC Name | 2-(1,3-dihydroisoindol-2-yl)acetic acid;hydrochloride |
| InChI | InChI=1S/C10H11NO2.ClH/c12-10(13)7-11-5-8-3-1-2-4-9(8)6-11;/h1-4H,5-7H2,(H,12,13);1H |
| InChI Key | XVRCBRCRFHAKBR-UHFFFAOYSA-N |
| MDL Number | MFCD13186052 |
| Molecular Formula | C10H12ClNO2 |
| Molecular Weight | 213.6608 |
| SMILES | N1(CC(O)=O)CC2C(=CC=CC=2)C1.Cl |
| Synonyms | 1215322-31-8,
1,3-Dihydro-2H-isoindol-2-ylacetic acid hydrochloride,
2-(isoindolin-2-yl)acetic acid hydrochloride,
SCHEMBL1371861,
XVRCBRCRFHAKBR-UHFFFAOYSA-N,
MFCD13186052,
AKOS027426163,
MCULE-7861388336,
|
| Complexity | 191 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 213.056g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 213.661g/mol |
| Monoisotopic Mass | 213.056g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 40.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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