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Home > Aldehydes > 125531-53-5
125531-53-5 | Benzaldehyde, 4-[3-(5-methyl-2-phenyl-4-oxazolyl)-1-oxopropyl]-
CAS No: 125531-53-5 Catalog No: AG000NT7 MDL No:
Product Description
Catalog Number:
AG000NT7
Chemical Name:
Benzaldehyde, 4-[3-(5-methyl-2-phenyl-4-oxazolyl)-1-oxopropyl]-
CAS Number:
125531-53-5
Molecular Formula:
C20H17NO3
Molecular Weight:
319.3539
IUPAC Name:
4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propanoyl]benzaldehyde
InChI:
InChI=1S/C20H17NO3/c1-14-18(21-20(24-14)17-5-3-2-4-6-17)11-12-19(23)16-9-7-15(13-22)8-10-16/h2-10,13H,11-12H2,1H3
InChI Key:
AJSPNJVNMYJKFK-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1)C(=O)CCc1nc(oc1C)c1ccccc1
Properties
Complexity:
425
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.121g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
319.36g/mol
Monoisotopic Mass:
319.121g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
60.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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