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832090-48-9 | 5-Pyrimidinecarboxylic acid, 4-ethyl-6-methyl-
CAS No: 832090-48-9 Catalog No: AG004VDC MDL No:
Product Description
Catalog Number:
AG004VDC
Chemical Name:
5-Pyrimidinecarboxylic acid, 4-ethyl-6-methyl-
CAS Number:
832090-48-9
Molecular Formula:
C8H10N2O2
Molecular Weight:
166.1772
IUPAC Name:
4-ethyl-6-methylpyrimidine-5-carboxylic acid
InChI:
InChI=1S/C8H10N2O2/c1-3-6-7(8(11)12)5(2)9-4-10-6/h4H,3H2,1-2H3,(H,11,12)
InChI Key:
SRXACMMCFHGABY-UHFFFAOYSA-N
SMILES:
CCc1ncnc(c1C(=O)O)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:
2
Topological Polar Surface Area:
63.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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