AG006JEY

91940-86-2 | 2-Ethoxyisonicotinic acid

AG006JEY

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CAS Number	91940-86-2
Catalog Number	AG006JEY(AGN-PC-0JTFVN)
Chemical Name	2-Ethoxyisonicotinic acid
IUPAC Name	2-ethoxypyridine-4-carboxylic acid
InChI	InChI=1S/C8H9NO3/c1-2-12-7-5-6(8(10)11)3-4-9-7/h3-5H,2H2,1H3,(H,10,11)
InChI Key	ZGGJYLYCHXPTRY-UHFFFAOYSA-N
MDL Number	MFCD04115719
Molecular Formula	C8H9NO3
Molecular Weight	167.1620
SMILES	O=C(O)C1=CC=NC(OCC)=C1
Synonyms	2-Ethoxyisonicotinic acid, 91940-86-2, 2-ethoxypyridine-4-carboxylic acid, 2-Ethoxy-4-pyridinecarboxylic acid, ZGGJYLYCHXPTRY-UHFFFAOYSA-N, 4-PYRIDINECARBOXYLIC ACID, 2-ETHOXY-, AC1LC0WG, 2-ethoxy-isonicotinic acid, ACMC-209re6, 2-Ethoxyisonicotinic acid #, SCHEMBL1992514, CTK3I8419, DTXSID90343812, ZINC4362879, 4-Pyridinecarboxylicacid, 2-ethoxy-, ANW-39772, MFCD04115719, SBB052955, AKOS000206182, AB20466, MCULE-5968329907, KS-00003T67, AJ-50869, TS-02251, TR-028934, V9151, EN300-80425, 2-ethoxy-4-pyridinecarboxylic acid, AldrichCPR, B-5264, I02-2734, F8880-8196, Z1259341095, 2-Ethoxyisonicotinicacid, C8H9NO3, CID592401,

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	1.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P264-P270-P271-P280-P301+P312+P330-P302+P352-P304+P340+P312-P305+P351+P338-P332+P313-P337+P313-P362-P403+P233-P405-P501
Signal Words	warning
UN Code

Certificate of Analysis

Lot Number