AG007VWC

1060817-57-3 | 2-Isopropylpyrimidine-4-carboxylic acid

AG007VWC

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CAS Number	1060817-57-3
Catalog Number	AG007VWC(AGN-PC-05BJ2B)
Chemical Name	2-Isopropylpyrimidine-4-carboxylic acid
IUPAC Name	2-propan-2-ylpyrimidine-4-carboxylic acid
InChI	InChI=1S/C8H10N2O2/c1-5(2)7-9-4-3-6(10-7)8(11)12/h3-5H,1-2H3,(H,11,12)
InChI Key	VSALLHNSJLKESM-UHFFFAOYSA-N
MDL Number	MFCD11053989
Molecular Formula	C8H10N2O2
Molecular Weight	166.1772
SMILES	N1C(=CC=NC=1C(C)C)C(O)=O
Synonyms	1060817-57-3, 2-Isopropylpyrimidine-4-carboxylic acid, 2-Isopropyl-4-pyrimidinecarboxylic acid, 2-(Propan-2-yl)pyrimidine-4-carboxylic acid, SCHEMBL6121885, CTK4A4382, DTXSID30651024, 1391AA, 8298AC, MFCD11053989, ZINC19093261, AKOS000284223, FS-6013, AJ-72090, Y-6584, 2-Isopropyl-4-pyrimidinecarboxylic acid AldrichCPR, 4-Pyrimidinecarboxylic acid, 2-(1-methylethyl)-, 2-Isopropyl-4-pyrimidinecarboxylic acid, AldrichCPR, C7H8ClNO, C8H10N2O2, 2-Isopropylpyrimidine-4-carboxylicacid, 3-(chloromethyl)-5-cyclopropylisoxazole, 1060817-59-5,

Complexity	170
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	1
Isotope Atom Count	0
Molecular Weight	166.18g/mol
Monoisotopic Mass	166.074g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	63.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H317
Packing Group
Precautionary statements	P280
UN Code

Certificate of Analysis

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