AG00C45M

21855-16-3 | 6-(Ethoxycarbonyl)pyridine-2-carboxylic acid

AG00C45M

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CAS Number	21855-16-3
Catalog Number	AG00C45M(AGN-PC-0KX1TT)
Chemical Name	6-(Ethoxycarbonyl)pyridine-2-carboxylic acid
EC Number	606-846-2
IUPAC Name	6-ethoxycarbonylpyridine-2-carboxylic acid
InChI	InChI=1S/C9H9NO4/c1-2-14-9(13)7-5-3-4-6(10-7)8(11)12/h3-5H,2H2,1H3,(H,11,12)
InChI Key	MFCXAUVIKVGIFK-UHFFFAOYSA-N
MDL Number	MFCD00806154
Molecular Formula	C9H9NO4
Molecular Weight	195.1721
SMILES	O=C(O)C1=NC(C(OCC)=O)=CC=C1
Synonyms	6-(Ethoxycarbonyl)picolinic acid, 21855-16-3, 6-(ethoxycarbonyl)pyridine-2-carboxylic acid, Ethyl2,6-PyridinedicarboxylateMono, 6-ethoxycarbonyl-2-pyridinecarboxylic acid, 2,6-pyridine dicarboxylic acid monoethyl ester, 2,6-PYRIDINE DICARBOXYLIC ACID ETHYL ESTER, Methyl dipicolinate, 6-ethoxycarbonylpyridine-2-carboxylic Acid, AC1MT3RH, 2,6-Pyridinedicarboxylic acid monoethyl ester, Oprea1_848293, SCHEMBL2832191, CTK6F6710, DTXSID90393978, MFCXAUVIKVGIFK-UHFFFAOYSA-N, ZINC174778, ALBB-019684, KS-00000G8H, 1067AB, ANW-60575, CCG-15077, EBD281681, MFCD00806154, 2,6-pyridinedicarboxylatemonoethylester, AKOS000266690, MCULE-9528403790, NCGC00336971-01, 2,6-pyridinedicarboxylate monoethyl ester, 2,6-pyridinedicarboxylic acid ethyl ester, AC-25704, AJ-17608, AK-89669, DS-16596, SC-34106, SC-34538, TC-149320, 2,6-Pyridinedicarboxylic acid 2-ethyl ester, 4CH-007309, AM20050954, EU-0033374, FT-0646797, ST24029591, 2,6-Pyridinedicarboxylic acid, 2-ethyl ester, 2,6-Pyridinedicarboxylic acid, monoethyl ester, A24532, L-4664, pyridine-2,6-dicarboxylic acid monoethyl ester, AB01330163-02, SR-01000388953, SR-01000388953-1, F0266-2028, C9H9NO4, CID3594444,

Complexity	229
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	195.053g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	195.174g/mol
Monoisotopic Mass	195.053g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	76.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.3

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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