AG00HA7B

103878-09-7 | 2-Pyridinecarboxylic acid, 3-ethoxy-

AG00HA7B

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CAS Number	103878-09-7
Catalog Number	AG00HA7B(AGN-PC-03A0G5)
Chemical Name	2-Pyridinecarboxylic acid, 3-ethoxy-
IUPAC Name	3-ethoxypyridine-2-carboxylic acid
InChI	InChI=1S/C8H9NO3/c1-2-12-6-4-3-5-9-7(6)8(10)11/h3-5H,2H2,1H3,(H,10,11)
InChI Key	QTVCNUYGSSNMDT-UHFFFAOYSA-N
MDL Number	MFCD11878609
Molecular Formula	C8H9NO3
Molecular Weight	167.1620
SMILES	O=C(O)C1=NC=CC=C1OCC
Synonyms	3-Ethoxypicolinic acid, 3-Ethoxypyridine-2-carboxylic acid, 103878-09-7, 2-Pyridinecarboxylic acid, 3-ethoxy-, SCHEMBL126180, KS-00000PCU, QTVCNUYGSSNMDT-UHFFFAOYSA-N, MFCD11878609, ZINC42295541, AKOS010638000, MCULE-5509609544, NE35348, AK-76063, DS-16560, AJ-104216, Z1336457495,

Complexity	160
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	167.058g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	167.164g/mol
Monoisotopic Mass	167.058g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	59.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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