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113949-10-3 | 4-Pyrimidinecarboxylic acid, 5-methoxy-2-methyl-
CAS No: 113949-10-3 Catalog No: AG000A5B MDL No:MFCD13689012
Product Description
Catalog Number:
AG000A5B
Chemical Name:
4-Pyrimidinecarboxylic acid, 5-methoxy-2-methyl-
CAS Number:
113949-10-3
Molecular Formula:
C7H8N2O3
Molecular Weight:
168.1500
MDL Number:
MFCD13689012
IUPAC Name:
5-methoxy-2-methylpyrimidine-4-carboxylic acid
InChI:
InChI=1S/C7H8N2O3/c1-4-8-3-5(12-2)6(9-4)7(10)11/h3H,1-2H3,(H,10,11)
InChI Key:
RVOCKJRFXCSHJL-UHFFFAOYSA-N
SMILES:
COc1cnc(nc1C(=O)O)C
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.053g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
168.152g/mol
Monoisotopic Mass:
168.053g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
72.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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