3-(2-Oxo-1,2,3,4-tetrahydroquinolin-3-yl)propanoic Acid - CAS 923163-76-2
Catalog: |
BB066189 |
Product Name: |
3-(2-Oxo-1,2,3,4-tetrahydroquinolin-3-yl)propanoic Acid |
CAS: |
923163-76-2 |
Synonyms: |
1,2,3,4-Tetrahydro-2-oxo-3-quinolinepropanoic acid |
IUPAC Name: | 3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoic acid |
Description: | 3-(2-oxo-1,2,3,4-tetrahydroquinolin-3-yl)propanoic Acid (cas# 923163-76-2) is a useful research chemical. |
Molecular Weight: | 219.24 |
Molecular Formula: | C12H13NO3 |
Canonical SMILES: | C1C(C(=O)NC2=CC=CC=C21)CCC(=O)O |
InChI: | InChI=1S/C12H13NO3/c14-11(15)6-5-9-7-8-3-1-2-4-10(8)13-12(9)16/h1-4,9H,5-7H2,(H,13,16)(H,14,15) |
InChI Key: | WSLCTTTURUNBEO-UHFFFAOYSA-N |
Melting Point: | 168 - 170°C |
Solubility: | DMSO (Slightly, Sonicated), Methanol (Slightly, Sonicated) |
Appearance: | Pale Beige to Pale Brown Solid |
Storage: | -20°C, Inert atmosphere |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 290 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 219.08954328 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 219.08954328 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 66.4Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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