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Ethyl Nicotinate

CAT: 0572-TRC-E925125-100GSize: 100 gDry Ice: NoHazardous: Yes
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CAT#:0572-TRC-E925125-100GSize:100 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
614-18-6
Synonyms
Ethyl Nicotinate; 3-Pyridinecarboxylic acid, ethyl ester; Nicotinic acid, ethyl ester (6CI,8CI); 3-(Ethoxycarbonyl)pyridine; 3-Carbethoxypyridine; Ba 2673; Ethyl 3-pyridinecarboxylate; Ethyl nicotinate; Ignicut; Ignocut; Mucotherm; NSC 8872; Nicaethan; Nikethan; Nikithan; beta-Pyridinecarboxylic acid ethyl ester
Hazard Statement
Combustible liquid; UN number: UN1760; Packing Group: II
Smiles
CCOC(=O)c1cccnc1
Molecular Formula
C8 H9 N O2
Molecular Weight
151.16
InChI
InChI=1S/C8H9NO2/c1-2-11-8(10)7-4-3-5-9-6-7/h3-6H,2H2,1H3
Additionnal Information
IUPAC name: ethyl pyridine-3-carboxylate
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Ethyl Nicotinate

Ethyl nicotinate is a member of pyridines and an aromatic carboxylic acid.

CAS Number614-18-6
PubChem CID69188
IUPAC Nameethyl pyridine-3-carboxylate
Molecular FormulaC8H9NO2
Molecular Weight151.16
XLogP1.3
Topological Polar Surface Area39.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count11
Formal Charge0
Complexity136
SMILES
CCOC(=O)C1=CN=CC=C1
InChI
InChI=1S/C8H9NO2/c1-2-11-8(10)7-4-3-5-9-6-7/h3-6H,2H2,1H3
InChIKey
XBLVHTDFJBKJLG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ethyl Nicotinate
CAS: 614-18-6
CID: 69188
Formula: C8H9NO2
MW: 151.16
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight151.16
XLogP31.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass151.063328530
Monoisotopic Mass151.063328530
Topological Polar Surface Area39.2 Ų
Heavy Atom Count11
Formal Charge0
Complexity136
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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