AG00G3S2

76470-34-3 | 5,6-Dimethoxynicotinic Acid

AG00G3S2

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CAS Number	76470-34-3
Catalog Number	AG00G3S2(AGN-PC-0NJEZB)
Chemical Name	5,6-Dimethoxynicotinic Acid
IUPAC Name	5,6-dimethoxypyridine-3-carboxylic acid
InChI	InChI=1S/C8H9NO4/c1-12-6-3-5(8(10)11)4-9-7(6)13-2/h3-4H,1-2H3,(H,10,11)
InChI Key	DVPUSKADCOGLKP-UHFFFAOYSA-N
MDL Number	MFCD12401642
Molecular Formula	C8H9NO4
Molecular Weight	183.1614
SMILES	O=C(O)C1=CN=C(OC)C(OC)=C1
Synonyms	5,6-Dimethoxynicotinic acid, 76470-34-3, 5,6-dimethoxypyridine-3-carboxylic acid, ACMC-209p3p, AC1Q472R, SCHEMBL7652014, CTK6J8078, DTXSID50502665, CS-B1178, ANW-36803, FCH923635, MFCD12401642, ZINC35270559, AKOS006345804, 5,6-Dimethoxynicotinic acid, AldrichCPR, AJ-91158, AK-71072, PS-13081, TR-065437, V7667, C8H9NO4,

Complexity	185
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	183.053g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	183.163g/mol
Monoisotopic Mass	183.053g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	68.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H317-H319
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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