| CAS Number | 1187933-04-5 |
| Catalog Number | AG0092EM(AGN-PC-09RR0X) |
| Chemical Name | Indoline-4-carboxylic acid hydrochloride |
| IUPAC Name | 2,3-dihydro-1H-indole-4-carboxylic acid;hydrochloride |
| InChI | InChI=1S/C9H9NO2.ClH/c11-9(12)7-2-1-3-8-6(7)4-5-10-8;/h1-3,10H,4-5H2,(H,11,12);1H |
| InChI Key | LXNIYKCEAWXTEM-UHFFFAOYSA-N |
| MDL Number | MFCD09878905 |
| Molecular Formula | C9H10ClNO2 |
| Molecular Weight | 199.6342 |
| SMILES | Cl.OC(C1=C2C(NCC2)=CC=C1)=O |
| Synonyms | Indoline-4-carboxylic acid hydrochloride,
1187933-04-5,
2,3-DIHYDRO-1H-INDOLE-4-CARBOXYLIC ACID HYDROCHLORIDE,
1352AJ,
AKOS024262591,
AX8292372,
Z-5525,
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
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