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210115-38-1 | Benzaldehyde, 3-(4-pyrimidinyl)-
CAS No: 210115-38-1 Catalog No: AG002KKX MDL No:
Product Description
Catalog Number:
AG002KKX
Chemical Name:
Benzaldehyde, 3-(4-pyrimidinyl)-
CAS Number:
210115-38-1
Molecular Formula:
C11H8N2O
Molecular Weight:
184.1940
IUPAC Name:
3-(2,6-dimethoxypyrimidin-4-yl)benzaldehyde
InChI:
InChI=1S/C13H12N2O3/c1-17-12-7-11(14-13(15-12)18-2)10-5-3-4-9(6-10)8-16/h3-8H,1-2H3
InChI Key:
MKPUDBNIYWPDHQ-UHFFFAOYSA-N
SMILES:
O=Cc1cccc(c1)c1ccncn1
Properties
Complexity:
275
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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