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Home > Aldehydes > 823792-76-3
823792-76-3 | 5-Pyrimidinecarboxaldehyde, 4-(dimethylamino)-2-phenyl-
CAS No: 823792-76-3 Catalog No: AG004Y97 MDL No:
Product Description
Catalog Number:
AG004Y97
Chemical Name:
5-Pyrimidinecarboxaldehyde, 4-(dimethylamino)-2-phenyl-
CAS Number:
823792-76-3
Molecular Formula:
C13H13N3O
Molecular Weight:
227.2618
IUPAC Name:
4-(dimethylamino)-2-phenylpyrimidine-5-carbaldehyde
InChI:
InChI=1S/C13H13N3O/c1-16(2)13-11(9-17)8-14-12(15-13)10-6-4-3-5-7-10/h3-9H,1-2H3
InChI Key:
IBEUKOQSGLVFHF-UHFFFAOYSA-N
SMILES:
O=Cc1cnc(nc1N(C)C)c1ccccc1
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.106g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
227.267g/mol
Monoisotopic Mass:
227.106g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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