| CAS Number | 19656-83-8 |
| Catalog Number | AG01DPOQ(AGN-PC-0WD2MR) |
| Chemical Name | 2-(Quinolin-3-yl)acetic acid hydrochloride |
| IUPAC Name | 2-quinolin-3-ylacetic acid;hydrochloride |
| InChI | InChI=1S/C11H9NO2.ClH/c13-11(14)6-8-5-9-3-1-2-4-10(9)12-7-8;/h1-5,7H,6H2,(H,13,14);1H |
| InChI Key | OZGVIPQNJVJCSN-UHFFFAOYSA-N |
| MDL Number | MFCD26383587 |
| Molecular Formula | C11H10ClNO2 |
| Molecular Weight | 223.6556 |
| SMILES | Cl.OC(CC1=CC2=C(C=CC=C2)N=C1)=O |
| Synonyms | 2-(Quinolin-3-yl)acetic acid hydrochloride,
19656-83-8,
DTXSID10856499,
0128AB,
AKOS016842546,
AX8256574,
(Quinolin-3-yl)acetic acid--hydrogen chloride (1/1),
C11H10ClNO2,
2-(Quinolin-3-yl)aceticacidhydrochloride,
1343080-22-7,
|
| Complexity | 217 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 223.04g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 223.656g/mol |
| Monoisotopic Mass | 223.04g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 50.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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