AG00IHJB

933191-25-4 | 2-(Pyrimidin-2-yl)pyrimidine-5-carboxylic acid

AG00IHJB

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CAS Number	933191-25-4
Catalog Number	AG00IHJB(AGN-PC-0WB0V8)
Chemical Name	2-(Pyrimidin-2-yl)pyrimidine-5-carboxylic acid
IUPAC Name	2-pyrimidin-2-ylpyrimidine-5-carboxylic acid
InChI	InChI=1S/C9H6N4O2/c14-9(15)6-4-12-8(13-5-6)7-10-2-1-3-11-7/h1-5H,(H,14,15)
InChI Key	WULZRCCJSITGMR-UHFFFAOYSA-N
MDL Number	MFCD16869027
Molecular Formula	C9H6N4O2
Molecular Weight	202.1695
SMILES	O=C(C1=CN=C(C2=NC=CC=N2)N=C1)O
Synonyms	933191-25-4, 2-(pyrimidin-2-yl)pyrimidine-5-carboxylic acid, [2,2'-BIPYRIMIDINE]-5-CARBOXYLIC ACID, SCHEMBL3219936, CTK7J0496, DTXSID60694267, pyrimidinylpyrimidinecarboxylicacid, WULZRCCJSITGMR-UHFFFAOYSA-N, KS-000027PZ, 3553AF, MFCD16869027, ZINC54856988, 2,2'-Bipyrimidine-5-carboxylic acid, AKOS012049799, ME-0726, RP11798, [2,2']bipyrimidinyl-5-carboxylic acid, TR-071819, FT-0718039, J-502728, C9H6N4O2,

Complexity	222
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	202.049g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	202.173g/mol
Monoisotopic Mass	202.049g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	88.9A^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-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number