1(2H)-Quinolineaceticacid, 2-oxo-(CAS No. 55170-65-5)

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1 Gram	Negotiable

1 Gram

Negotiable

Min.Order :1 Gram
Purity: 99%
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1(2H)-Quinolineaceticacid, 2-oxo- 55170-65-5 98%

Quick Details

Appearance:Solid
Application:Organic Chemicals
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ProductionCapacity:10|Kilogram|Month
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Details:

【Name】
1(2H)-Quinolineaceticacid, 2-oxo-
【Iupac name】
2-(2-oxoquinolin-1-yl)acetic acid
【CAS Registry number】
55170-65-5
【Synonyms】
NSC 230953
【Molecular Formula】
C11H9 N O3 (Products with the same molecular formula)
【Molecular Weight】
0
【Inchi】
InChI=1/C11H9NO3/c13-10-6-5-8-3-1-2-4-9(8)12(10)7-11(14)15/h1-6H,7H2,(H,14,15)
【Canonical SMILES】
C1=CC=C2C(=C1)C=CC(=O)N2CC(=O)O
Chemical and Physical Properties
【Density】
1.36g/cm3
【Boiling Point】
385.9°C at 760 mmHg
【Refractive Index】
1.622
【Flash Point】
187.2°C
【Computed Properties】
Molecular Weight:203.19406 [g/mol]
Molecular Formula:C11H9NO3
XLogP3:1
H-Bond Donor:1
H-Bond Acceptor:3
Rotatable Bond Count:2
Exact Mass:203.058243
MonoIsotopic Mass:203.058243
Topological Polar Surface Area:57.6
Heavy Atom Count:15
Formal Charge:0
Complexity:311
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:3
Feature 3D Anion Count:1
Feature 3D Ring Count:2
Effective Rotor Count:2
Conformer Sampling RMSD:0.6
CID Conformer Count:4

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