AG00D2UP

36853-14-2 | ethyl 2,4-dimethyl-6-oxo-1,6-dihydropyridine-3-carboxylate

AG00D2UP

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CAS Number	36853-14-2
Catalog Number	AG00D2UP(AGN-PC-0KL3K5)
Chemical Name	ethyl 2,4-dimethyl-6-oxo-1,6-dihydropyridine-3-carboxylate
IUPAC Name	ethyl 2,4-dimethyl-6-oxo-1H-pyridine-3-carboxylate
InChI	InChI=1S/C10H13NO3/c1-4-14-10(13)9-6(2)5-8(12)11-7(9)3/h5H,4H2,1-3H3,(H,11,12)
InChI Key	XIRRHMRGKFDBIA-UHFFFAOYSA-N
MDL Number	MFCD00514034
Molecular Formula	C10H13NO3
Molecular Weight	195.2151
SMILES	CCOC(C1=C(C)NC(=O)C=C1C)=O
Synonyms	Ethyl 2,4-dimethyl-6-oxo-1,6-dihydropyridine-3-carboxylate, 36853-14-2, Ethyl 2,4-dimethyl-6-oxo-1H-pyridine-3-carboxylate, AC1MD8VP, SCHEMBL1296287, DTXSID40382933, XIRRHMRGKFDBIA-UHFFFAOYSA-N, ZINC2566519, MFCD00514034, AKOS010998560, AKOS022645006, MCULE-3790769178, AJ-41293, VU0494815-1, L-3218, 6-hydroxy-2,4-dimethylnicotinic acid ethyl ester, F2158-0792, Ethyl 2,4-dimethyl-6-oxo-1,6-dihydro-3-pyridinecarboxylate, CID2785599, Ethyl2,4-dimethyl-6-oxo-1,6-dihydropyridine-3-carboxylate,

Complexity	339
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	195.09g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	195.218g/mol
Monoisotopic Mass	195.09g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	55.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.4

GHS Hazard and Precautionary Statements

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

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