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113761-61-8 | Benzoic acid, 2-[(4,6-dimethoxy-2-pyrimidinyl)oxy]-3-methyl-
CAS No: 113761-61-8 Catalog No: AG0009LA MDL No:
Product Description
Catalog Number:
AG0009LA
Chemical Name:
Benzoic acid, 2-[(4,6-dimethoxy-2-pyrimidinyl)oxy]-3-methyl-
CAS Number:
113761-61-8
Molecular Formula:
C14H14N2O5
Molecular Weight:
290.2714
IUPAC Name:
2-(4,6-dimethoxypyrimidin-2-yl)oxy-3-methylbenzoic acid
InChI:
InChI=1S/C14H14N2O5/c1-8-5-4-6-9(13(17)18)12(8)21-14-15-10(19-2)7-11(16-14)20-3/h4-7H,1-3H3,(H,17,18)
InChI Key:
OTFPPPXZJAEQIF-UHFFFAOYSA-N
SMILES:
COc1nc(nc(c1)OC)Oc1c(C)cccc1C(=O)O
Properties
Complexity:
342
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.09g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
290.275g/mol
Monoisotopic Mass:
290.09g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
90.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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