4-Quinolinecarboxylicacid, 2-(3-pyridinyl)-, ethyl ester(CAS No. 5471-13-6) CAS NO.5471-13-6

Min.Order Quantity:: 1 Gram

Purity:: 99%

Port:: SHANGHAI

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Product Details

Keywords

4-Quinolinecarboxylicacid, 2-(3-pyridinyl)-, ethyl ester
5471-13-6
98%

Quick Details

ProName: 4-Quinolinecarboxylicacid, 2-(3-pyridi...
CasNo: 5471-13-6
Molecular Formula: C17H14 N2 O2
Appearance: Solid
Application: Organic Chemicals
DeliveryTime: according to client's demand quantity
PackAge: as requested
Port: SHANGHAI
ProductionCapacity: 100 Kilogram/Month
Purity: 99%
Storage: room temperature
Transportation: as requested
LimitNum: 1 Gram

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Details

【name】
4-quinolinecarboxylicacid, 2-(3-pyridinyl)-, ethyl ester
【iupac name】
ethyl 2-pyridin-3-ylquinoline-4-carboxylate
【cas registry number】
5471-13-6
【synonyms】
cinchoninicacid, 2-(3-pyridyl)-, ethyl ester (5ci)
nsc 26085
【molecular formula】
c17h14 n2 o2 (products with the same molecular formula)
【molecular weight】
0
【inchi】
inchi=1/c17h14n2o2/c1-2-21-17(20)14-10-16(12-6-5-9-18-11-12)19-15-8-4-3-7-13(14)15/h3-11h,2h2,1h3
【canonical smiles】
ccoc(=o)c1=cc(=nc2=cc=cc=c21)c3=cn=cc=c3
【mol file】
5471-13-6.mol
chemical and physical properties
【density】
1.211g/cm3
【boiling point】
460.7°cat760mmhg
【refractive index】
1.625
【flash point】
232.4°c
【computed properties】
molecular weight:278.30526 [g/mol]
molecular formula:c17h14n2o2
xlogp3-aa:3
h-bond donor:0
h-bond acceptor:4
rotatable bond count:4
exact mass:278.105528
monoisotopic mass:278.105528
topological polar surface area:52.1
heavy atom count:21
formal charge:0
complexity:361
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 ring count:3
effective rotor count:4
conformer sampling rmsd:0.6
cid conformer count:43