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138538-42-8 | 4-Pyrimidinecarboxylic acid, 6-methyl-
CAS No: 138538-42-8 Catalog No: AG0019EP MDL No:MFCD09881198
Product Description
Catalog Number:
AG0019EP
Chemical Name:
4-Pyrimidinecarboxylic acid, 6-methyl-
CAS Number:
138538-42-8
Molecular Formula:
C6H6N2O2
Molecular Weight:
138.1240
MDL Number:
MFCD09881198
IUPAC Name:
6-methylpyrimidine-4-carboxylic acid
InChI:
InChI=1S/C6H6N2O2/c1-4-2-5(6(9)10)8-3-7-4/h2-3H,1H3,(H,9,10)
InChI Key:
YSRGRWJKRYESQW-UHFFFAOYSA-N
SMILES:
Cc1cc(ncn1)C(=O)O
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:
0.5
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