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898760-29-7 | 2-(4-HEXYLOXYBENZOYL)OXAZOLE
CAS No: 898760-29-7 Catalog No: AG006NWW MDL No:
Product Description
Catalog Number:
AG006NWW
Chemical Name:
2-(4-HEXYLOXYBENZOYL)OXAZOLE
CAS Number:
898760-29-7
Molecular Formula:
C16H19NO3
Molecular Weight:
273.3270
IUPAC Name:
(4-hexoxyphenyl)-(1,3-oxazol-2-yl)methanone
InChI:
InChI=1S/C16H19NO3/c1-2-3-4-5-11-19-14-8-6-13(7-9-14)15(18)16-17-10-12-20-16/h6-10,12H,2-5,11H2,1H3
InChI Key:
YDBGAGAFHVHILW-UHFFFAOYSA-N
SMILES:
CCCCCCOc1ccc(cc1)C(=O)c1ncco1
Properties
Complexity:
287
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.136g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
273.332g/mol
Monoisotopic Mass:
273.136g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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