AG006Y5V

223788-14-5 | Ethyl 6-oxo-3,6-dihydropyrimidine-4-carboxylate

AG006Y5V

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CAS Number	223788-14-5
Catalog Number	AG006Y5V(AGN-PC-025GA5)
Chemical Name	Ethyl 6-oxo-3,6-dihydropyrimidine-4-carboxylate
IUPAC Name	ethyl 6-oxo-1H-pyrimidine-4-carboxylate
InChI	InChI=1S/C7H8N2O3/c1-2-12-7(11)5-3-6(10)9-4-8-5/h3-4H,2H2,1H3,(H,8,9,10)
InChI Key	RDEDWQDJPRDEBZ-UHFFFAOYSA-N
MDL Number	MFCD11046434
Molecular Formula	C7H8N2O3
Molecular Weight	168.1500
SMILES	O=C(C(NC=N1)=CC1=O)OCC
Synonyms	223788-14-5, Ethyl 6-hydroxypyrimidine-4-carboxylate, Ethyl 6-oxo-3,6-dihydropyrimidine-4-carboxylate, ethyl 6-oxo-1,6-dihydropyrimidine-4-carboxylate, 4-Pyrimidinecarboxylic acid,1,6-dihydro-6-oxo-,ethyl ester, 4-PYRIMIDINECARBOXYLIC ACID, 1,6-DIHYDRO-6-OXO-, ETHYL ESTER, PubChem23515, SCHEMBL294157, CTK4E9342, DTXSID50597435, RDEDWQDJPRDEBZ-UHFFFAOYSA-N, CS-M1611, KS-00000ID4, ANW-60696, MFCD11113094, ZINC21982432, AKOS006306592, AKOS016003227, AKOS022171442, ethyl6-hydroxypyrimidine-4-carboxylate, AB63705, ACN-000936, CM10222, QC-9866, RP02557, ethyl 6-hydroxy-4-pyrimidinecarboxylate, AJ-79076, AK-82793, AM803542, BC676022, DS-16929, AB0038007, DB-013041, ST2413061, TC-149441, 4CH-016353, FT-0696819, Y5350, C-2215, Ethyl 1,6-dihydro-6-oxopyrimidine-4-carboxylate, 4-oxo-1H-pyrimidine-6-carboxylic acid ethyl ester, A816171, ethyl 4-oxidanylidene-1H-pyrimidine-6-carboxylate, W-206758, Z2689031686, 6-HYDROXY-PYRIMIDINE-4-CARBOXYLIC ACID ETHYL ESTER, 6-Oxo-1,6-dihydropyrimidine-4-carboxylic acid ethyl ester, 4-Pyrimidinecarboxylicacid, 1,6-dihydro-6-oxo-, ethyl ester, 1,6-DIHYDRO-6-OXO-4-PYRIMIDINECARBOXYLIC ACID ETHYL ESTER, C7H8N2O3, 4-Pyrimidinecarboxylic acid, 1,6-dihydro-6-oxo-, ethyl ester (9CI),

Complexity	268
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	168.053g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	168.152g/mol
Monoisotopic Mass	168.053g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	67.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

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