AG0037TO

4774-35-0 | 4-HYDROXY-PYRIMIDINE-5-CARBOXYLIC ACID METHYL ESTER

AG0037TO

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CAS Number	4774-35-0
Catalog Number	AG0037TO(AGN-PC-0OANM9)
Chemical Name	4-HYDROXY-PYRIMIDINE-5-CARBOXYLIC ACID METHYL ESTER
IUPAC Name	methyl 6-oxo-1H-pyrimidine-5-carboxylate
InChI	InChI=1S/C6H6N2O3/c1-11-6(10)4-2-7-3-8-5(4)9/h2-3H,1H3,(H,7,8,9)
InChI Key	KFWOVXLWAGKILN-UHFFFAOYSA-N
MDL Number	MFCD01632117
Molecular Formula	C6H6N2O3
Molecular Weight	154.1234
SMILES	COC(=O)C=1C(=NC=NC1)O
Synonyms	4774-35-0, methyl 4-hydroxypyrimidine-5-carboxylate, 4-Hydroxypyrimidine-5-carboxylic acid methyl ester, 4-Hydroxy-pyrimidine-5-carboxylic acid methyl ester, methyl 6-oxo-1,6-dihydropyrimidine-5-carboxylate, 5-Pyrimidinecarboxylic acid, 1,4-dihydro-4-oxo-, methyl ester, MFCD01632117, PubChem21479, 4-Hydroxy-pyrimidine-5-carboxylicacidmethylester, KSC495I6N, AC1Q42S1, SCHEMBL1465185, SCHEMBL10194200, CTK3J5466, DTXSID00471594, KFWOVXLWAGKILN-UHFFFAOYSA-N, HMS3435P21, ACT01628, ALBB-017425, EBD24469, KS-000002ET, ANW-51085, BBL007132, HTS009211, STL133227, STL389395, ZINC15021901, AKOS005745456, AKOS015831160, AKOS028108953, AC-2412, BS-3848, CS-W002799, HP21327, MCULE-6536528758, PS-8892, RL03779, RTR-017549, AJ-67070, AK-26014, AN-13994, BC223812, BR-26014, CJ-15047, HC210375, methyl 6-oxo-1H-pyrimidine-5-carboxylate, SC-49326, SY018263, AB0025047, ST2413415, TR-017549, 4CH-013516, BB 0238900, FT-0648590, W6438, EN300-72398, MFCD01632117 (95%), S-3614, Methyl6-oxo-1,6-dihydropyrimidine-5-carboxylate, 774H350, I03-0503, W-202837, 4-Hydroxy-pyrimidine-5-carboxylic acid methyl ester, 5-pyrimidinecarboxylic acid, 4-hydroxy-, methyl ester, Z1250132297, 4-HYDROXY-PYRIMIDINE-5-CARBOXYLIC ACID METHYL ESTE, C6H6N2O3, CID11744833, Methyl 4-oxo-3H-pyrimidine-5-carboxylate, A7300, M0198, 4-Hydroxy-pyrimidine-5-carboxylic acid methyl ester, 98% - 1G 1g,

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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