AG003QBH

110960-73-1 | Ethyl 4-methylpyrimidine-5-carboxylate

AG003QBH

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CAS Number	110960-73-1
Catalog Number	AG003QBH(AGN-PC-00LDOT)
Chemical Name	Ethyl 4-methylpyrimidine-5-carboxylate
IUPAC Name	ethyl 4-methylpyrimidine-5-carboxylate
InChI	InChI=1S/C8H10N2O2/c1-3-12-8(11)7-4-9-5-10-6(7)2/h4-5H,3H2,1-2H3
InChI Key	VVZGEVKJTLFQQS-UHFFFAOYSA-N
MDL Number	MFCD07369107
Molecular Formula	C8H10N2O2
Molecular Weight	166.1772
SMILES	CCOC(=O)C1=C(C)N=CN=C1
Synonyms	ethyl 4-methylpyrimidine-5-carboxylate, 110960-73-1, 4-methyl-pyrimidine-5-carboxylic acid ethyl ester, ETHYL-4-METHYLPYRIMIDINE-5-CARBOXYLATE, ETHYL-4-METHYL PYRIMIDINE-5-CARBOXYLATE, 4-Methylpyrimidine-5-carboxylic acid ethyl ester, 5-Pyrimidinecarboxylic acid, 4-methyl-, ethyl ester, SCHEMBL1669584, DTXSID90526168, VVZGEVKJTLFQQS-UHFFFAOYSA-N, 4-methyl-5-ethoxycarbonylpyrimidine, ZINC8700135, MFCD07369107, AKOS005264411, CS-W000455, HP21367, RP22911, TRA0030996, KS-000008T9, AC-24320, AJ-58337, AK-82588, CJ-13483, DS-16898, HC210415, SY006265, AB0056115, AB1000740, DB-014296, TC-308297, FT-0761524, ST24047047, Z-3980, Z-8370, MFCD07369107 (95+%), 960E731, 5-Pyrimidinecarboxylicacid, 4-methyl-, ethyl ester, I03-0701, J-515818, null, 6342-56-9,

Complexity	161
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	166.074g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	166.18g/mol
Monoisotopic Mass	166.074g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	52.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

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