Methyl Nicotinate 99% Extrapure

CAT: 1507-1738D 00500Size: 500 mgDry Ice: NoHazardous: No

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CAT#:1507-1738D 00500Size:500 mg

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CAS Number

93-60-7

HSN Code

29333999

Chemical Information

Methyl Nicotinate

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

CAS Number	93-60-7
PubChem CID	7151
IUPAC Name	methyl pyridine-3-carboxylate
Molecular Formula	C7H7NO2
Molecular Weight	137.14
XLogP	0.8
Topological Polar Surface Area	39.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	10
Formal Charge	0
Complexity	125

SMILES

COC(=O)C1=CN=CC=C1

InChI

InChI=1S/C7H7NO2/c1-10-7(9)6-3-2-4-8-5-6/h2-5H,1H3

InChIKey

YNBADRVTZLEFNH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 93-60-7

CID: 7151

Formula: C7H7NO2

MW: 137.14

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	137.14
XLogP3	0.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	137.047678466
Monoisotopic Mass	137.047678466
Topological Polar Surface Area	39.2 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	125
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
Compound Is Canonicalized	Yes

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Catalog	Name
TRC-M323240-10G	Methyl Nicotinate
HY-B1695R-01	Methyl nicotinate (Standard)
HY-B1695S-01	Methyl nicotinate-d4
JH916662	Methyl 6- ((phenylamino) methyl) nicotinate
454759-01	Methyl 2- (chloromethyl) nicotinate