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113763-72-7 | Benzoic acid, 2-[(4,6-dimethoxy-2-pyrimidinyl)oxy]-6-methyl-
CAS No: 113763-72-7 Catalog No: AG0009L5 MDL No:
Product Description
Catalog Number:
AG0009L5
Chemical Name:
Benzoic acid, 2-[(4,6-dimethoxy-2-pyrimidinyl)oxy]-6-methyl-
CAS Number:
113763-72-7
Molecular Formula:
C14H14N2O5
Molecular Weight:
290.2714
IUPAC Name:
2-(4,6-dimethoxypyrimidin-2-yl)oxy-6-methylbenzoic acid
InChI:
InChI=1S/C14H14N2O5/c1-8-5-4-6-9(12(8)13(17)18)21-14-15-10(19-2)7-11(16-14)20-3/h4-7H,1-3H3,(H,17,18)
InChI Key:
TWWUBQGYUYOWEU-UHFFFAOYSA-N
SMILES:
COc1cc(OC)nc(n1)Oc1cccc(c1C(=O)O)C
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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