AG00FC5I

65754-04-3 | 5-Pyrimidinecarboxylic acid, 1,4-dihydro-4-oxo- (9CI)

AG00FC5I

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CAS Number	65754-04-3
Catalog Number	AG00FC5I(AGN-PC-003WQV)
Chemical Name	5-Pyrimidinecarboxylic acid, 1,4-dihydro-4-oxo- (9CI)
IUPAC Name	6-oxo-1H-pyrimidine-5-carboxylic acid
InChI	InChI=1S/C5H4N2O3/c8-4-3(5(9)10)1-6-2-7-4/h1-2H,(H,9,10)(H,6,7,8)
InChI Key	JKDACPUPAMICIA-UHFFFAOYSA-N
MDL Number	MFCD08692965
Molecular Formula	C5H4N2O3
Molecular Weight	140.0969
SMILES	C(=O)(O)c1c(=O)[nH]cnc1
Synonyms	4-Hydroxypyrimidine-5-carboxylic acid, 65754-04-3, 6-OXO-1,6-DIHYDROPYRIMIDINE-5-CARBOXYLIC ACID, 4-oxo-1,4-dihydropyrimidine-5-carboxylic acid, 6-Oxo-1,6-dihydro-pyrimidine-5-carboxylic acid, 6-oxo-1H-pyrimidine-5-carboxylic acid, 6-Oxo-1,6-dihydro-5-pyrimidinecarboxylic acid, 5-Pyrimidinecarboxylic acid, 1,4-dihydro-4-oxo-, KSC915M4D, SCHEMBL798220, 5-Pyrimidinecarboxylic acid, 1,4-dihydro-4-oxo- (9CI), CTK7J0516, CTK8B5641, CTK8J8906, DTXSID80568830, JKDACPUPAMICIA-UHFFFAOYSA-N, HMS3435F02, EBD16646, ANW-49400, BBL018140, FD7408, HTS009168, MFCD08692965, STL183353, ZINC16857698, 4-hydroxy-5-pyrimidinecarboxylic acid, AKOS000277087, AKOS001773964, AKOS024015495, 4-hydroxy-5-pyrimidine carboxylic acid, 4-Hydroxy-pyrimidine-5-carboxylic acid, 4-oxo-3H-pyrimidine-5-carboxylic acid, ACN-001148, BS-3792, CS-W022518, HP21369, MCULE-7526187020, NE35925, RL04511, VP50386, KS-00000I37, AC-25289, AJ-69577, AK-39341, AN-38597, HC210417, ST090132, 4-oxo-3-hydropyrimidine-5-carboxylic acid, AB0026105, AB0087983, AB1008845, DB-073662, TR-022340, 4CH-005027, BB 0238899, BB 0255265, FT-0741374, W7701, 1,6-Dihydro-6-oxo-5-pyrimidinecarboxylic acid, 3,4-Dihydro-4-oxopyrimidine-5-carboxylic acid, L-2491, M-9248, 6-oxidanylidene-1H-pyrimidine-5-carboxylic acid, 754O043, A835220, J-515533, F2199-0023, Z1350606493, null, C5H4N2O3, 3-chloro-N-(3-ethylphenyl)propanamide,

Complexity	241
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	140.022g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	140.098g/mol
Monoisotopic Mass	140.022g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	78.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.4

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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