AG00DA8M

5027-65-6 | 5-(Methoxycarbonyl);nicotinic acid

AG00DA8M

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CAS Number	5027-65-6
Catalog Number	AG00DA8M(AGN-PC-02LEUX)
Chemical Name	5-(Methoxycarbonyl);nicotinic acid
IUPAC Name	5-methoxycarbonylpyridine-3-carboxylic acid
InChI	InChI=1S/C8H7NO4/c1-13-8(12)6-2-5(7(10)11)3-9-4-6/h2-4H,1H3,(H,10,11)
InChI Key	GUXKBDHITFXEJG-UHFFFAOYSA-N
MDL Number	MFCD07367955
Molecular Formula	C8H7NO4
Molecular Weight	181.1455
SMILES	O=C(O)C1=CN=CC(C(OC)=O)=C1
Synonyms	5-(methoxycarbonyl)nicotinic acid, 5027-65-6, 3,5-Pyridinecarboxylic acid, 3-methyl ester, 5-(methoxycarbonyl)pyridine-3-carboxylic acid, PYRIDINE-3,5-DICARBOXYLIC ACID MONOMETHYL ESTER, AC1Q42YN, SCHEMBL56952, DTXSID80600966, GUXKBDHITFXEJG-UHFFFAOYSA-N, 4378AE, MFCD07367955, ZINC14684163, AKOS015949347, AB31493, CS-W001581, MCULE-2319604475, NE45408, RP09310, AC-14314, AS-42957, SC-30076, 3,5-Pyridinecarboxylic acid,3-methyl ester, 5-methoxycarbonylpyridine-3-carboxylic acid, pyridine-3,5-dicarboxylic acid methyl ester, FT-0685002, 5-(Methoxycarbonyl)-3-pyridinecarboxylic acid, EN300-44992, J-516360, 3,5-PYRIDINE CARBOXYLIC ACID, 3-METHYL ESTER, Z1340548845, C8H7NO4, 3,5-PYRIDINECARBOXYLICACID,3-METHYLESTER,

Complexity	216
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	181.038g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	181.147g/mol
Monoisotopic Mass	181.038g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	76.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.2

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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