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68662-93-1 | 2-benzyl-4-benzylidene-1,3-oxazol-5-one
CAS No: 68662-93-1 Catalog No: AG006I23 MDL No:
Product Description
Catalog Number:
AG006I23
Chemical Name:
2-benzyl-4-benzylidene-1,3-oxazol-5-one
CAS Number:
68662-93-1
Molecular Formula:
C17H13NO2
Molecular Weight:
263.2906
IUPAC Name:
2-benzyl-4-benzylidene-1,3-oxazol-5-one
InChI:
InChI=1S/C17H13NO2/c19-17-15(11-13-7-3-1-4-8-13)18-16(20-17)12-14-9-5-2-6-10-14/h1-11H,12H2
InChI Key:
CUIIFPJNHZJTPD-UHFFFAOYSA-N
SMILES:
O=C1OC(=NC1=Cc1ccccc1)Cc1ccccc1
Properties
Complexity:
413
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.095g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
263.296g/mol
Monoisotopic Mass:
263.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.5
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