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112471-36-0 | 2(3H)-Furanone, dihydro-5-[2-(iodomethyl)phenyl]-
CAS No: 112471-36-0 Catalog No: AG007AT6 MDL No:
Product Description
Catalog Number:
AG007AT6
Chemical Name:
2(3H)-Furanone, dihydro-5-[2-(iodomethyl)phenyl]-
CAS Number:
112471-36-0
Molecular Formula:
C11H11IO2
Molecular Weight:
302.1083
IUPAC Name:
5-[2-(iodomethyl)phenyl]oxolan-2-one
InChI:
InChI=1S/C11H11IO2/c12-7-8-3-1-2-4-9(8)10-5-6-11(13)14-10/h1-4,10H,5-7H2
InChI Key:
MXMWWWMGZGDVSG-UHFFFAOYSA-N
SMILES:
ICc1ccccc1C1CCC(=O)O1
Properties
Complexity:
217
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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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