AG0033UD

6975-44-6 | Ethyl 4,6-dihydroxynicotinate

AG0033UD

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CAS Number	6975-44-6
Catalog Number	AG0033UD(AGN-PC-0OGSTF)
Chemical Name	Ethyl 4,6-dihydroxynicotinate
IUPAC Name	ethyl 4-hydroxy-6-oxo-1H-pyridine-3-carboxylate
InChI	InChI=1S/C8H9NO4/c1-2-13-8(12)5-4-9-7(11)3-6(5)10/h3-4H,2H2,1H3,(H2,9,10,11)
InChI Key	QDHHLXABEXNRJX-UHFFFAOYSA-N
MDL Number	MFCD00834976
Molecular Formula	C8H9NO4
Molecular Weight	183.1614
NSC Number	22486
SMILES	O=C(C(C(O)=C1)=CNC1=O)OCC
Synonyms	ethyl 4,6-dihydroxynicotinate, 6975-44-6, 4,6-Dihydroxynicotinic acid ethyl ester, ethyl 4,6-dihydroxypyridine-3-carboxylate, 4,6-Dihydroxypyridine-3-carboxylic acid ethyl ester, 4, 6-Dihydroxynicotinic acid ethyl ester, ethyl 4-hydroxy-6-oxo-1,6-dihydropyridine-3-carboxylate, 3-PYRIDINECARBOXYLIC ACID, 4,6-DIHYDROXY-, ETHYL ESTER, ethyl 6-hydroxy-4-oxo-1H-pyridine-3-carboxylate, NSC22486, 4,6-Dihydroxy-nicotinic acid ethyl ester, AC1L5GPB, Maybridge3_007431, AC1Q34MB, Ethyl4,6-dihydroxynicotinate, SCHEMBL502007, CTK5D1242, DTXSID60715628, QDHHLXABEXNRJX-UHFFFAOYSA-N, HMS1452C08, ALBB-014116, ZINC8613495, ANW-69513, DT1976, FCH991306, MFCD00834976, NSC-22486, SBB053841, AKOS005071532, AKOS013153143, AKOS015950846, AB-0719, AB07410, AN-2632, CS-W002704, MCULE-3085362838, RP03302, RP24393, TRA0056557, VP10255, IDI1_018818, AC-23176, AJ-57720, AK-36145, EN000035, SC-44902, SY012325, AB0042008, AB1005227, ST2412984, TR-033359, 4CH-013602, E1110, FT-0607001, ST50949721, Y9854, EN300-88377, A-2194, MFCD00834976 (97+%), AC-907/34126052, I02-2299, J-520954, ethyl 6-hydroxy-4-oxo-1,4-dihydropyridine-3-carboxylate, F2167-4188, Z1270640440, 1,6-Dihydro-4-hydroxy-6-oxo-3-pyridinecarboxylic acid ethyl ester, 4-hydroxy-6-oxo-1,6-dihydro-pyridine-3-carboxylic acid ethyl ester, 6-Hydroxy-4-oxo-1,4-dihydropyridine-3-carboxylic acid ethyl ester, 3-Pyridinecarboxylicacid, 1,6-dihydro-4-hydroxy-6-oxo-, ethyl ester, Nicotinicacid, 4,6-dihydroxy-, ethyl ester (7CI); 2,4-Dihydroxy-5-(ethoxycarbonyl)pyridine; Ethyl 4,6-dihydroxynicotinate; 4,6-Dihydroxynicotinic acid ethyl ester, C8H9NO4, AR-1I9035, CID229083, ACN-041158, 4,6-Dihydroxynicotinic acid ethyl ester, 97% - 1G 1g, 9006-24-0,

Complexity	303
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	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	183.163g/mol
Monoisotopic Mass	183.053g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	75.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.1

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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