Home Carboxys 5-Pyrimidinecarboxylic acid, 2,4,6-trimethyl- (9CI)

5-Pyrimidinecarboxylic acid, 2,4,6-trimethyl- (9CI)

CAS No.:
108397-75-7
Catalog Number:
AG009TK8
Molecular Formula:
C8H10N2O2
Molecular Weight:
166.1772
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Product Description
Catalog Number:
AG009TK8
Chemical Name:
5-Pyrimidinecarboxylic acid, 2,4,6-trimethyl- (9CI)
CAS Number:
108397-75-7
Molecular Formula:
C8H10N2O2
Molecular Weight:
166.1772
MDL Number:
MFCD11040459
IUPAC Name:
2,4,6-trimethylpyrimidine-5-carboxylic acid
InChI:
InChI=1S/C8H10N2O2/c1-4-7(8(11)12)5(2)10-6(3)9-4/h1-3H3,(H,11,12)
InChI Key:
DRDANIHGQXLGSQ-UHFFFAOYSA-N
SMILES:
OC(=O)c1c(C)nc(nc1C)C
Properties
Complexity:
172  
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:
1  
Topological Polar Surface Area:
63.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties