AG005F0N

72790-16-0 | 5-Pyrimidinecarboxylicacid, 2-ethyl-

AG005F0N

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CAS Number	72790-16-0
Catalog Number	AG005F0N(AGN-PC-02Q3NP)
Chemical Name	5-Pyrimidinecarboxylicacid, 2-ethyl-
IUPAC Name	2-ethylpyrimidine-5-carboxylic acid
InChI	InChI=1S/C7H8N2O2/c1-2-6-8-3-5(4-9-6)7(10)11/h3-4H,2H2,1H3,(H,10,11)
InChI Key	KWYVXQIUKALVIQ-UHFFFAOYSA-N
MDL Number	MFCD09054863
Molecular Formula	C7H8N2O2
Molecular Weight	152.1506
SMILES	O=C(C1=CN=C(CC)N=C1)O
Synonyms	2-Ethylpyrimidine-5-carboxylic acid, 72790-16-0, 2-Ethyl-5-pyrimidinecarboxylic acid, 5-Pyrimidinecarboxylicacid, 2-ethyl-, 2-Ethyl-5-pyrimidinecarboxylicacid, SCHEMBL186656, CTK2H5869, 2-ethylpyrimidine-5-carboxylicacid, MFCD09054863, ZINC14608598, 5-pyrimidinecarboxylic acid,2-ethyl-, AKOS000284164, AJ-65005, AS-39010, DA-18644, SC-29998, AB0078969, 2-ETHYL-PYRIMIDINE-5-CARBOXYLIC ACID, FT-0769735, A19104, Y-4985, 2-Ethylpyrimidine-5-carboxylic acid, AldrichCPR, 5-Pyrimidinecarboxylicacid,2-ethyl-, 72790-17-1,

Complexity	141
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	152.059g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	152.153g/mol
Monoisotopic Mass	152.059g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	63.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.6

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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