AG003RYL

7399-93-1 | Methyl 6-oxo-3,6-dihydropyrimidine-4-carboxylate

AG003RYL

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CAS Number	7399-93-1
Catalog Number	AG003RYL(AGN-PC-0OHD7M)
Chemical Name	Methyl 6-oxo-3,6-dihydropyrimidine-4-carboxylate
IUPAC Name	methyl 6-oxo-1H-pyrimidine-4-carboxylate
InChI	InChI=1S/C6H6N2O3/c1-11-6(10)4-2-5(9)8-3-7-4/h2-3H,1H3,(H,7,8,9)
InChI Key	NRASTPGFHWCZFA-UHFFFAOYSA-N
MDL Number	MFCD00496785
Molecular Formula	C6H6N2O3
Molecular Weight	154.1234
NSC Number	57892
SMILES	O=C(C(NC=N1)=CC1=O)OC
Synonyms	methyl 6-hydroxypyrimidine-4-carboxylate, 7399-93-1, methyl 6-oxo-3,6-dihydropyrimidine-4-carboxylate, methyl 6-oxo-1,6-dihydropyrimidine-4-carboxylate, 4-Pyrimidinecarboxylic acid, 1,6-dihydro-6-oxo-, methyl ester, NSC57892, AC1L6GFH, AC1Q5YXC, AC1Q43SH, SCHEMBL2904122, SCHEMBL17979291, CTK5D9098, KS-00000BMR, DTXSID70288853, NRASTPGFHWCZFA-UHFFFAOYSA-N, ACN-P000903, ZINC4715089, 7127AJ, KM1585, MFCD00496785, NSC-57892, STL488937, AKOS001444793, AKOS022172777, AKOS024015622, CS-W002637, MCULE-1103935505, Methyl6-Hydroxypyrimidine-4-carboxylate, QC-9877, TRA0051310, AJ-52041, AK-68874, CJ-12240, DS-17122, methyl 6-oxo-1H-pyrimidine-4-carboxylate, SY016732, AB0058311, DB-021439, TC-308590, FT-0759169, MFCD00496785 (97+%), F1967-1724, Z316094262, 6-Oxo-3,6-dihydro-pyrimidine-4-carboxylic acid methyl ester, C6H6N2O3, AR-1J5660, CID245688, methyl 4-oxo-1H-pyrimidine-6-carboxylate, 2110-78-3, 98103-13-0,

Complexity	255
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	154.038g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	154.125g/mol
Monoisotopic Mass	154.038g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	67.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.6

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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