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877404-55-2 | (5-phenyl-1,3-oxazol-2-yl)methyl 4-oxo-4-(4-propoxyphenyl)butanoate
CAS No: 877404-55-2 Catalog No: AG01DWRQ MDL No:MFCD08237061
Product Description
Catalog Number:
AG01DWRQ
Chemical Name:
(5-phenyl-1,3-oxazol-2-yl)methyl 4-oxo-4-(4-propoxyphenyl)butanoate
CAS Number:
877404-55-2
Molecular Formula:
C23H23NO5
Molecular Weight:
393.4324
MDL Number:
MFCD08237061
IUPAC Name:
(5-phenyl-1,3-oxazol-2-yl)methyl 4-oxo-4-(4-propoxyphenyl)butanoate
InChI:
InChI=1S/C23H23NO5/c1-2-14-27-19-10-8-17(9-11-19)20(25)12-13-23(26)28-16-22-24-15-21(29-22)18-6-4-3-5-7-18/h3-11,15H,2,12-14,16H2,1H3
InChI Key:
AVLLSXLLLVMXOJ-UHFFFAOYSA-N
SMILES:
CCCOc1ccc(cc1)C(=O)CCC(=O)OCc1ncc(o1)c1ccccc1
Properties
Complexity:
511
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
393.158g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
393.439g/mol
Monoisotopic Mass:
393.158g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
78.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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