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89332-58-1 | 2(3H)-Oxazolone, 3-(1-oxo-3-phenyl-2-propenyl)-
CAS No: 89332-58-1 Catalog No: AG003ZJZ MDL No:
Product Description
Catalog Number:
AG003ZJZ
Chemical Name:
2(3H)-Oxazolone, 3-(1-oxo-3-phenyl-2-propenyl)-
CAS Number:
89332-58-1
Molecular Formula:
C12H9NO3
Molecular Weight:
215.2048
IUPAC Name:
3-(3-phenylprop-2-enoyl)-1,3-oxazol-2-one
InChI:
InChI=1S/C12H9NO3/c14-11(13-8-9-16-12(13)15)7-6-10-4-2-1-3-5-10/h1-9H
InChI Key:
RKPIFCKIBIQONL-UHFFFAOYSA-N
SMILES:
O=C(n1ccoc1=O)C=Cc1ccccc1
Properties
Complexity:
340
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.058g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
215.208g/mol
Monoisotopic Mass:
215.058g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.8
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