AG003MYJ

4595-61-3 | pyrimidine-5-carboxylic acid

AG003MYJ

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CAS Number	4595-61-3
Catalog Number	AG003MYJ(AGN-PC-0CDWXC)
Chemical Name	pyrimidine-5-carboxylic acid
EC Number	224-994-2
IUPAC Name	pyrimidine-5-carboxylic acid
InChI	InChI=1S/C5H4N2O2/c8-5(9)4-1-6-3-7-2-4/h1-3H,(H,8,9)
InChI Key	IIVUJUOJERNGQX-UHFFFAOYSA-N
MDL Number	MFCD00008166
Molecular Formula	C5H4N2O2
Molecular Weight	124.0975
SMILES	C1=NC=NC=C1C(=O)O
Synonyms	Pyrimidine-5-carboxylic acid, 4595-61-3, 5-Pyrimidinecarboxylic acid, 5-carboxypyrimidine, MFCD00856162, 5-pyrimidine carboxylic acid, pyrimidine-5-carboxilic acid, CHEMBL247316, pyrimidine-5-carboxylicacid, EINECS 224-994-2, PubChem2056, ACMC-209k5a, 5-pyrimidyl carboxylic acid, AC1Q5UC4, AC1Q73ZU, pyrimidin-5-carboxylic acid, pyrimidine-5-carboxylate acid, AA-516/30012043, KSC238Q3D, SCHEMBL106575, AC1L2V13, CTK1D8831, DTXSID90196663, IIVUJUOJERNGQX-UHFFFAOYSA-N, ACN-S004119, ACT01642, CS-B0029, KS-000002WE, ZINC1494997, ANW-30380, BBL100207, BDBM50216520, CL1919, CP-138, SBB053218, STL553779, WT1325, AKOS000280257, AC-3156, CCG-211241, HP21150, P2410G1, PB23195, PS-5404, RP00726, RTR-017351, TRA0068265, VP50296, pyrimidine-5-carboxylic acid, AldrichCPR, 4595-61-3 5-Pyrimidinecarboxylic acid, AJ-26375, AK-24470, AN-13258, BC227972, BC674875, BR-24470, HC210165, SC-04697, SY004100, U972, AB0019587, AB1011743, ST1141097, TL8003190, TR-017351, 4CH-001475, AM20100174, FT-0083150, FT-0635367, M0292, P1909, A18797, C-1266, P67449, MFCD00856162 (97+%), 595P613, W-106107, F2108-0288, null, 5-Pyrimidinecarboxylicacid, C5H4N2O2, C5-H4-N2-O2, CID78346, AR-1G9466, ACN-025493, Pyrimidine-5-carboxylic acid, 98% - 1G 1g, 5-Pyrimidinecarboxylic acid (6CI,7CI,8CI,9CI), 4926-16-3,

Complexity	110
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	124.027g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	124.099g/mol
Monoisotopic Mass	124.027g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	63.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.3

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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