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777060-72-7 | 3-Buten-2-one, 4-phenyl-1-(2-phenyl-5-oxazolyl)-, (3E)-
CAS No: 777060-72-7 Catalog No: AG008OLS MDL No:
Product Description
Catalog Number:
AG008OLS
Chemical Name:
3-Buten-2-one, 4-phenyl-1-(2-phenyl-5-oxazolyl)-, (3E)-
CAS Number:
777060-72-7
Molecular Formula:
C19H15NO2
Molecular Weight:
289.3279
IUPAC Name:
4-phenyl-1-(2-phenyl-1,3-oxazol-5-yl)but-3-en-2-one
InChI:
InChI=1S/C19H15NO2/c21-17(12-11-15-7-3-1-4-8-15)13-18-14-20-19(22-18)16-9-5-2-6-10-16/h1-12,14H,13H2
InChI Key:
YTRGDPNZHMIPQS-UHFFFAOYSA-N
SMILES:
O=C(Cc1cnc(o1)c1ccccc1)/C=C/c1ccccc1
Properties
Complexity:
381
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.11g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
289.334g/mol
Monoisotopic Mass:
289.11g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.7
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