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136682-50-3 | Cyclohexanecarboxylic acid, 2-[(4,6-dimethoxy-2-pyrimidinyl)oxy]-
CAS No: 136682-50-3 Catalog No: AG00127S MDL No:
Product Description
Catalog Number:
AG00127S
Chemical Name:
Cyclohexanecarboxylic acid, 2-[(4,6-dimethoxy-2-pyrimidinyl)oxy]-
CAS Number:
136682-50-3
Molecular Formula:
C13H18N2O5
Molecular Weight:
282.2924
IUPAC Name:
2-(4,6-dimethoxypyrimidin-2-yl)oxycyclohexane-1-carboxylic acid
InChI:
InChI=1S/C13H18N2O5/c1-18-10-7-11(19-2)15-13(14-10)20-9-6-4-3-5-8(9)12(16)17/h7-9H,3-6H2,1-2H3,(H,16,17)
InChI Key:
GVZIZPGXBFGTFJ-UHFFFAOYSA-N
SMILES:
COc1cc(OC)nc(n1)OC1CCCCC1C(=O)O
Properties
Complexity:
316
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.122g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
282.296g/mol
Monoisotopic Mass:
282.122g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
90.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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