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127958-08-1 | 5-Pyrimidinecarboxylic acid, 2-methyl-4-(1-methylethyl)-
CAS No: 127958-08-1 Catalog No: AG000XM4 MDL No:MFCD09260323
Product Description
Catalog Number:
AG000XM4
Chemical Name:
5-Pyrimidinecarboxylic acid, 2-methyl-4-(1-methylethyl)-
CAS Number:
127958-08-1
Molecular Formula:
C9H12N2O2
Molecular Weight:
180.2038
MDL Number:
MFCD09260323
IUPAC Name:
2-methyl-4-propan-2-ylpyrimidine-5-carboxylic acid
InChI:
InChI=1S/C9H12N2O2/c1-5(2)8-7(9(12)13)4-10-6(3)11-8/h4-5H,1-3H3,(H,12,13)
InChI Key:
RZGODGDGIONWIW-UHFFFAOYSA-N
SMILES:
CC(c1nc(C)ncc1C(=O)O)C
Properties
Complexity:
194
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.09g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
180.207g/mol
Monoisotopic Mass:
180.09g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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