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Home > Aldehydes > 142649-91-0
142649-91-0 | Benzaldehyde, 4-[2-(2-oxo-3(2H)-benzoxazolyl)ethoxy]-
CAS No: 142649-91-0 Catalog No: AG006XYK MDL No:
Product Description
Catalog Number:
AG006XYK
Chemical Name:
Benzaldehyde, 4-[2-(2-oxo-3(2H)-benzoxazolyl)ethoxy]-
CAS Number:
142649-91-0
Molecular Formula:
C16H13NO4
Molecular Weight:
283.2787
IUPAC Name:
4-[2-(2-oxo-1,3-benzoxazol-3-yl)ethoxy]benzaldehyde
InChI:
InChI=1S/C16H13NO4/c18-11-12-5-7-13(8-6-12)20-10-9-17-14-3-1-2-4-15(14)21-16(17)19/h1-8,11H,9-10H2
InChI Key:
KJEZFSSXQNYARA-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1)OCCn1c(=O)oc2c1cccc2
Properties
Complexity:
379
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.084g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
283.283g/mol
Monoisotopic Mass:
283.084g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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