| CAS Number | 1171876-52-0 |
| Catalog Number | AG000DVB(AGN-PC-06V8B1) |
| Chemical Name | 1H-Indole-5-carboxylic acid, 2,3-dihydro-, hydrochloride (1:1) |
| IUPAC Name | 2,3-dihydro-1H-indole-5-carboxylic acid;hydrochloride |
| InChI | InChI=1S/C9H9NO2.ClH/c11-9(12)7-1-2-8-6(5-7)3-4-10-8;/h1-2,5,10H,3-4H2,(H,11,12);1H |
| InChI Key | WTBSYTMVLQRZGK-UHFFFAOYSA-N |
| MDL Number | MFCD09971545 |
| Molecular Formula | C9H10ClNO2 |
| Molecular Weight | 199.6342 |
| SMILES | Cl.N1CCC2=CC(=CC=C12)C(=O)O |
| Synonyms | indoline-5-carboxylic acid hydrochloride,
1171876-52-0,
2,3-Dihydro-1H-indole-5-carboxylic acid hydrochloride,
AC1Q3EY1,
SCHEMBL698487,
CTK7I8437,
7276AH,
MFCD09971545,
AKOS026742380,
EN300-31712,
A-7278,
J-003531,
1H-Indole-5-carboxylic acid, 2,3-dihydro-, hydrochloride (1:1),
C9H9NO2.HCl,
|
| 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 | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number