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87761-90-8 | 2(3H)-Furanone, dihydro-5-(iodomethyl)-4-phenyl-
CAS No: 87761-90-8 Catalog No: AG004LGR MDL No:
Product Description
Catalog Number:
AG004LGR
Chemical Name:
2(3H)-Furanone, dihydro-5-(iodomethyl)-4-phenyl-
CAS Number:
87761-90-8
Molecular Formula:
C11H11IO2
Molecular Weight:
302.1083
IUPAC Name:
5-(iodomethyl)-4-phenyloxolan-2-one
InChI:
InChI=1S/C11H11IO2/c12-7-10-9(6-11(13)14-10)8-4-2-1-3-5-8/h1-5,9-10H,6-7H2
InChI Key:
WMGYPOZGHYRZSZ-UHFFFAOYSA-N
SMILES:
ICC1OC(=O)CC1c1ccccc1
Properties
Complexity:
211
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.98g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
302.111g/mol
Monoisotopic Mass:
301.98g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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