AG001PED

157335-92-7 | 5-Pyrimidinecarboxylic acid, 4-methyl-

AG001PED

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CAS Number	157335-92-7
Catalog Number	AG001PED(AGN-PC-0030HG)
Chemical Name	5-Pyrimidinecarboxylic acid, 4-methyl-
IUPAC Name	4-methylpyrimidine-5-carboxylic acid
InChI	InChI=1S/C6H6N2O2/c1-4-5(6(9)10)2-7-3-8-4/h2-3H,1H3,(H,9,10)
InChI Key	MGRYVXAAUYHOSI-UHFFFAOYSA-N
MDL Number	MFCD08361632
Molecular Formula	C6H6N2O2
Molecular Weight	138.1240
SMILES	CC1=C(C=NC=N1)C(O)=O
Synonyms	4-Methylpyrimidine-5-carboxylic acid, 157335-92-7, 4-Methyl-pyrimidine-5-carboxylic acid, 4-Methyl-5-pyrimidinecarboxylic acid, 5-Pyrimidinecarboxylic acid, 4-methyl-, 4-Methylpyrimidine-5-carboxylicacid, 5-Pyrimidinecarboxylicacid,4-methyl-, EC-000.1402, AC1Q2ETS, SCHEMBL1667344, CTK0H0667, KS-00000CIW, DTXSID20565464, MGRYVXAAUYHOSI-UHFFFAOYSA-N, ALBB-013014, BCP06023, 7885AA, ANW-69294, MFCD08361632, SBB085458, STK891557, ZINC13561578, 4-methyl-5-pyrimidine carboxylic acid, 5-Pyrimidinecarboxylicacid, 4-methyl-, AKOS000303385, AC-7415, ACN-025039, AM90061, AN-9037, CM-1674, CS-W000496, DS-2527, HP21365, LS20826, MCULE-3074138717, RP20410, RP20421, RTR-006613, TRA0089008, NCGC00331225-01, AJ-64182, AK-32530, HC210413, SC-55365, SY006146, AB0065680, AB1000693, ST2411553, TR-006613, 4CH-016217, A3458, BB 0237686, FT-0678000, ST50393026, EN300-43812, K-4944, AB01324717-02, MFCD08361632 (97+%), 335M927, 4-Methyl-5-pyrimidinecarboxylic acid, AldrichCPR, A809838, J-009405, J-515817, I14-17500, F8881-5983, null, C6H6N2O2, (2-oxo-4-phenylpyrrolidin-1-yl)acetic acid, 5-Pyrimidinecarboxylic acid, 4-methyl- (9CI),

Complexity	138
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	138.043g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	138.126g/mol
Monoisotopic Mass	138.043g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	63.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.1

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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