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Home > Aldehydes > 136429-18-0
136429-18-0 | 2-Pyridinecarboxaldehyde, 3-[(4,6-dimethoxy-2-pyrimidinyl)oxy]-
CAS No: 136429-18-0 Catalog No: AG0011UN MDL No:
Product Description
Catalog Number:
AG0011UN
Chemical Name:
2-Pyridinecarboxaldehyde, 3-[(4,6-dimethoxy-2-pyrimidinyl)oxy]-
CAS Number:
136429-18-0
Molecular Formula:
C12H11N3O4
Molecular Weight:
261.2334
IUPAC Name:
3-(4,6-dimethoxypyrimidin-2-yl)oxypyridine-2-carbaldehyde
InChI:
InChI=1S/C12H11N3O4/c1-17-10-6-11(18-2)15-12(14-10)19-9-4-3-5-13-8(9)7-16/h3-7H,1-2H3
InChI Key:
PGDFWRINOJTSDB-UHFFFAOYSA-N
SMILES:
COc1cc(OC)nc(n1)Oc1cccnc1C=O
Properties
Complexity:
280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.075g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
261.237g/mol
Monoisotopic Mass:
261.075g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
83.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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