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157335-93-8 | 5-Pyrimidinecarboxylic acid, 4,6-dimethyl-
CAS No: 157335-93-8 Catalog No: AG001PEC MDL No:MFCD07787545
Product Description
Catalog Number:
AG001PEC
Chemical Name:
5-Pyrimidinecarboxylic acid, 4,6-dimethyl-
CAS Number:
157335-93-8
Molecular Formula:
C7H8N2O2
Molecular Weight:
152.1506
MDL Number:
MFCD07787545
IUPAC Name:
4,6-dimethylpyrimidine-5-carboxylic acid
InChI:
InChI=1S/C7H8N2O2/c1-4-6(7(10)11)5(2)9-3-8-4/h3H,1-2H3,(H,10,11)
InChI Key:
SBJRXHBKPCHGQY-UHFFFAOYSA-N
SMILES:
OC(=O)c1c(C)ncnc1C
Properties
Complexity:
151
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.059g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
152.153g/mol
Monoisotopic Mass:
152.059g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
63.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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