AG002OD3

2450-08-0 | 4-Pyrimidinecarboxylic acid, methyl ester

AG002OD3

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CAS Number	2450-08-0
Catalog Number	AG002OD3(AGN-PC-0JNS16)
Chemical Name	4-Pyrimidinecarboxylic acid, methyl ester
IUPAC Name	methyl pyrimidine-4-carboxylate
InChI	InChI=1S/C6H6N2O2/c1-10-6(9)5-2-3-7-4-8-5/h2-4H,1H3
InChI Key	GXZQHMHLHHUHAM-UHFFFAOYSA-N
MDL Number	MFCD00234184
Molecular Formula	C6H6N2O2
Molecular Weight	138.1240
NSC Number	78314
SMILES	O=C(C1=NC=NC=C1)OC
Synonyms	methyl pyrimidine-4-carboxylate, 2450-08-0, Pyrimidine-4-carboxylic acid methyl ester, 4-PYRIMIDINECARBOXYLIC ACID, METHYL ESTER, methylpyrimidine-4-carboxylate, 4-Pyrimidinecarboxylicacid, methyl ester, MFCD00234184, NSC78314, PubChem20806, 6-carbomethoxypyrimidine, 4-carbomethoxy-pyrimidine, AC1L5PUC, AC1Q5ZER, 4-methoxycarbonylpyrimidine, methyl4-pyrimidinylcarboxylate, methyl-4-pyrimidinecarboxylate, Methyl 4-pyrimidinecarboxylate, SCHEMBL249470, Methyl 4-pyrimdine carboxylate, CTK4F3804, DTXSID90291809, Methyl Pyrimidine-4- carboxylate, GXZQHMHLHHUHAM-UHFFFAOYSA-N, ACT08632, BCP26472, KS-000002WX, ZINC1718778, ANW-52776, BBL100578, CM-012, NSC-78314, SBB053949, STL554372, AKOS005254751, HP21012, PB15680, RP01147, 4-Pyrimidinecarboxylic acid methyl ester, AJ-30923, AN-17097, BL000368, CJ-29152, HC210009, SC-28071, AB0040769, AB1011579, DB-024767, ST1141089, TC-020703, AM20090275, CS-0036314, FT-0603724, Y8420, 9N-070, C-8157, M80063, 450P080, AC-907/25004532, I03-0367, Q-102062, InChI=1/C6H6N2O2/c1-10-6(9)5-2-3-7-4-8-5/h2-4H,1H, null, 4-pyrimidinecarboxylic acid, C6H6N2O2, AR-1J6155, CID254248, ACN-044643, C2485, PYRIMIDINE-4-CARBOXYLICACIDMETHYLESTER, methyl pyrimidine-4-carboxylate, 95% - 1G 1g, 4-Pyrimidinecarboxylic acid, methyl ester (6CI,7CI,8CI,9CI), 24629-84-3,

Complexity	127
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	0
Isotope Atom Count	0
Molecular Weight	138.126g/mol
Monoisotopic Mass	138.043g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	52.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

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