| CAS Number | 1982760-98-4 |
| Catalog Number | AG002BE1(AGN-PC-0JJLYB) |
| Chemical Name | 2,3-dihydro-1H-indole-3-carboxylic acid hydrochloride |
| IUPAC Name | 2,3-dihydro-1H-indole-3-carboxylic acid;hydrochloride |
| InChI | InChI=1S/C9H9NO2.ClH/c11-9(12)7-5-10-8-4-2-1-3-6(7)8;/h1-4,7,10H,5H2,(H,11,12);1H |
| InChI Key | XHUGSSGQAGKPEB-UHFFFAOYSA-N |
| MDL Number | MFCD27756474 |
| Molecular Formula | C9H10ClNO2 |
| Molecular Weight | 199.6342 |
| SMILES | Cl.OC(C1C2=C(C=CC=C2)NC1)=O |
| Synonyms | Indoline-3-carboxylic acid hydrochloride,
83234-66-6,
AX8256615,
1H-Indole-3-carboxylic acid, 2,3-dihydro-, hydrochloride (1:1),
1982760-98-4,
39891-70-8,
|
| Complexity | 193 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 199.04g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 199.634g/mol |
| Monoisotopic Mass | 199.04g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 49.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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