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77232-34-9 | Benzaldehyde,4-(4,6-dimethoxy-2-pyrimidinyl)-
CAS No: 77232-34-9 Catalog No: AG008NJS MDL No:
Product Description
Catalog Number:
AG008NJS
Chemical Name:
Benzaldehyde,4-(4,6-dimethoxy-2-pyrimidinyl)-
CAS Number:
77232-34-9
Molecular Formula:
C13H12N2O3
Molecular Weight:
244.2460
IUPAC Name:
4-(4,6-dimethoxypyrimidin-2-yl)benzaldehyde
InChI:
InChI=1S/C13H12N2O3/c1-17-11-7-12(18-2)15-13(14-11)10-5-3-9(8-16)4-6-10/h3-8H,1-2H3
InChI Key:
KMQDXUYQLUHTJT-UHFFFAOYSA-N
SMILES:
COc1cc(OC)nc(n1)c1ccc(cc1)C=O
Properties
Complexity:
255
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.085g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
244.25g/mol
Monoisotopic Mass:
244.085g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
61.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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