| CAS Number | 152150-03-3 |
| Catalog Number | AG00B8G8(AGN-PC-0WAJ06) |
| Chemical Name | 2-(Quinolin-5-yl)acetic acid |
| IUPAC Name | 2-quinolin-5-ylacetic acid |
| InChI | InChI=1S/C11H9NO2/c13-11(14)7-8-3-1-5-10-9(8)4-2-6-12-10/h1-6H,7H2,(H,13,14) |
| InChI Key | JFWDAGJPWJVGFG-UHFFFAOYSA-N |
| MDL Number | MFCD09925074 |
| Molecular Formula | C11H9NO2 |
| Molecular Weight | 187.1947 |
| SMILES | OC(CC1=C2C(N=CC=C2)=CC=C1)=O |
| Synonyms | 2-(QUINOLIN-5-YL)ACETIC ACID,
152150-03-3,
(Quinolin-5-yl)acetic acid,
5-Quinolineacetic acid,
Quinoline-5-acetic acid,
SCHEMBL3720399,
CTK4C7328,
DTXSID30608437,
JFWDAGJPWJVGFG-UHFFFAOYSA-N,
MFCD09925074,
ZINC32501182,
AKOS006310954,
RP03501,
Y7606,
W-205727,
Z2754447750,
C11H9NO2,
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| Complexity | 217 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 187.063g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 187.198g/mol |
| Monoisotopic Mass | 187.063g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 50.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number