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Home > Aldehydes > 281234-46-6
281234-46-6 | Benzaldehyde,4-(1,2-dihydro-2-oxo-5-pyrimidinyl)-
CAS No: 281234-46-6 Catalog No: AG007LCK MDL No:
Product Description
Catalog Number:
AG007LCK
Chemical Name:
Benzaldehyde,4-(1,2-dihydro-2-oxo-5-pyrimidinyl)-
CAS Number:
281234-46-6
Molecular Formula:
C16H18N4O
Molecular Weight:
282.3403
IUPAC Name:
4-(2-oxo-1H-pyrimidin-5-yl)benzaldehyde
InChI:
InChI=1S/C11H8N2O2/c14-7-8-1-3-9(4-2-8)10-5-12-11(15)13-6-10/h1-7H,(H,12,13,15)
InChI Key:
HVFWOCFLHLEWAL-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1)c1cnc(nc1)N1CCN(CC1)C
Properties
Complexity:
326
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.059g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
200.197g/mol
Monoisotopic Mass:
200.059g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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