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79054-03-8

79054-03-8 | 2(3H)-Furanone, dihydro-5-(iodomethylene)-3-phenyl-, (E)-

CAS No: 79054-03-8 Catalog No: AG005CCU MDL No:

Product Description

Catalog Number:
AG005CCU
Chemical Name:
2(3H)-Furanone, dihydro-5-(iodomethylene)-3-phenyl-, (E)-
CAS Number:
79054-03-8
Molecular Formula:
C11H9IO2
Molecular Weight:
300.0924
IUPAC Name:
5-(iodomethylidene)-3-phenyloxolan-2-one
InChI:
InChI=1S/C11H9IO2/c12-7-9-6-10(11(13)14-9)8-4-2-1-3-5-8/h1-5,7,10H,6H2
InChI Key:
VPADGKIPPLWFKA-UHFFFAOYSA-N
SMILES:
I/C=C/1\CC(C(=O)O1)c1ccccc1

Properties

Complexity:
254  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.965g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
300.095g/mol
Monoisotopic Mass:
299.965g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
1  
XLogP3:
2.8  

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