AG0060TH

927803-31-4 | 2-Isopropylpyrimidine-5-carboxylic acid

AG0060TH

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CAS Number	927803-31-4
Catalog Number	AG0060TH(AGN-PC-0WB3TS)
Chemical Name	2-Isopropylpyrimidine-5-carboxylic acid
IUPAC Name	2-propan-2-ylpyrimidine-5-carboxylic acid
InChI	InChI=1S/C8H10N2O2/c1-5(2)7-9-3-6(4-10-7)8(11)12/h3-5H,1-2H3,(H,11,12)
InChI Key	UDIFLHTYAHFUAJ-UHFFFAOYSA-N
MDL Number	MFCD09054857
Molecular Formula	C8H10N2O2
Molecular Weight	166.1772
SMILES	C(C)(C)C1=NC=C(C=N1)C(=O)O
Synonyms	927803-31-4, 2-isopropylpyrimidine-5-carboxylic acid, 2-(1-methylethyl)pyrimidine-5-carboxylic acid, 2-Isopropyl-pyrimidine-5-carboxylic acid, 2-(propan-2-yl)pyrimidine-5-carboxylic acid, SCHEMBL198067, CTK5H1689, DTXSID80647952, MFCD09054857, ZINC14608600, AKOS000301880, MCULE-2059230316, RTR-056970, 2-Isopropyl-5-pyrimidinecarboxylic acid, AJ-65006, AM806830, AS-39002, SC-32256, 2-propan-2-ylpyrimidine-5-carboxylic acid, DB-032088, TR-056970, BB 0259305, CS-0045700, FT-0745528, Y-4984,

Complexity	162
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	0.9

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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