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157335-92-7 | 5-Pyrimidinecarboxylic acid, 4-methyl-
CAS No: 157335-92-7 Catalog No: AG001PED MDL No:MFCD08361632
Product Description
Catalog Number:
AG001PED
Chemical Name:
5-Pyrimidinecarboxylic acid, 4-methyl-
CAS Number:
157335-92-7
Molecular Formula:
C6H6N2O2
Molecular Weight:
138.1240
MDL Number:
MFCD08361632
IUPAC Name:
4-methylpyrimidine-5-carboxylic acid
InChI:
InChI=1S/C6H6N2O2/c1-4-5(6(9)10)2-7-3-8-4/h2-3H,1H3,(H,9,10)
InChI Key:
MGRYVXAAUYHOSI-UHFFFAOYSA-N
SMILES:
OC(=O)c1cncnc1C
Properties
Complexity:
138
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
138.043g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
138.126g/mol
Monoisotopic Mass:
138.043g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
63.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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