Home Carboxys 5-Pyrimidinecarboxylic acid, 4-ethyl-2-methyl-

5-Pyrimidinecarboxylic acid, 4-ethyl-2-methyl-

CAS No.:
127958-06-9
Catalog Number:
AG000XM5
Molecular Formula:
C8H10N2O2
Molecular Weight:
166.1772
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Product Description
Catalog Number:
AG000XM5
Chemical Name:
5-Pyrimidinecarboxylic acid, 4-ethyl-2-methyl-
CAS Number:
127958-06-9
Molecular Formula:
C8H10N2O2
Molecular Weight:
166.1772
MDL Number:
MFCD08689469
IUPAC Name:
4-ethyl-2-methylpyrimidine-5-carboxylic acid
InChI:
InChI=1S/C8H10N2O2/c1-3-7-6(8(11)12)4-9-5(2)10-7/h4H,3H2,1-2H3,(H,11,12)
InChI Key:
XQRXSIZGVKLXKW-UHFFFAOYSA-N
SMILES:
CCc1nc(C)ncc1C(=O)O
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:
2  
Topological Polar Surface Area:
63.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties