AG003Q1J

63155-11-3 | 2-Pyrimidineacetic acid, ethyl ester (9CI)

AG003Q1J

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CAS Number	63155-11-3
Catalog Number	AG003Q1J(AGN-PC-0NIRY4)
Chemical Name	2-Pyrimidineacetic acid, ethyl ester (9CI)
IUPAC Name	ethyl 2-pyrimidin-2-ylacetate
InChI	InChI=1S/C8H10N2O2/c1-2-12-8(11)6-7-9-4-3-5-10-7/h3-5H,2,6H2,1H3
InChI Key	DZQZAEMLHNEMEN-UHFFFAOYSA-N
MDL Number	MFCD09953517
Molecular Formula	C8H10N2O2
Molecular Weight	166.1772
SMILES	C(C)OC(CC1=NC=CC=N1)=O
Synonyms	63155-11-3, ethyl 2-(pyrimidin-2-yl)acetate, 2-PYRIMIDINEACETIC ACID ETHYL ESTER, Ethyl 2-(2-Pyrimidyl)acetate, 2-Pyrimidineacetic acid, ethyl ester, Ethyl (pyrimidin-2-yl)acetate, PYRIMIDIN-2-YL-ACETIC ACID ETHYL ESTER, AK-24266, 2-Pyrimidineaceticacid, ethyl ester, PubChem18563, ACMC-209ndf, ethyl 2-pyrimidinylacetate, ethyl (2-pyrimidinyl)acetate, ethyl 2-pyrimidin-2-ylacetate, (ethoxycarbonylmethyl)pyrimidine, SCHEMBL7890254, CTK5B7826, DTXSID60494582, DZQZAEMLHNEMEN-UHFFFAOYSA-N, Ethyl 2-(pyrimidin-2-yl);acetate, ANW-34561, CE-510, MFCD09953517, ZINC39121048, AKOS006311316, CS-W003699, HP21518, PB14776, RP22925, TRA-0184182, AC-25241, AJ-98566, AN-38996, BR-24266, CJ-19785, DS-10518, SY007015, AB0025950, AB1000846, AX8158378, DB-032202, ST2412911, TR-021751, 4CH-007980, AM20100560, FT-0648659, W7517, KS-00000721, A25936, S-5766, MFCD09953517 (97+%), 155P113, I03-0553, J-510317, 2-Pyrimidineacetic acid ethyl ester;2-Pyrimidineacetic acid, ethyl ester (9CI), null, 2-Pyrimidineaceticacid,ethylester, C8H10N2O2, ACN-039044, 2-Pyrimidineacetic acid, ethyl ester (9CI), 2-ethyl-3,5-dihydroxy-n,n-bis(2-methoxyethyl)-6-(3-methoxy-4-(2-(4-morpholinyl)ethoxy)benzoyl)benzeneacetamide,

Complexity	144
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	4
Topological Polar Surface Area	52.1A^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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