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105500-47-8 | 2(3H)-Furanone, dihydro-5-(iodomethyl)-4,4-dimethyl-, (S)-
CAS No: 105500-47-8 Catalog No: AG0084RI MDL No:
Product Description
Catalog Number:
AG0084RI
Chemical Name:
2(3H)-Furanone, dihydro-5-(iodomethyl)-4,4-dimethyl-, (S)-
CAS Number:
105500-47-8
Molecular Formula:
C7H11IO2
Molecular Weight:
254.0655
IUPAC Name:
(5S)-5-(iodomethyl)-4,4-dimethyloxolan-2-one
InChI:
InChI=1S/C7H11IO2/c1-7(2)3-6(9)10-5(7)4-8/h5H,3-4H2,1-2H3/t5-/m1/s1
InChI Key:
MVMIBCXKOSOVNS-RXMQYKEDSA-N
SMILES:
IC[C@H]1OC(=O)CC1(C)C
Properties
Complexity:
154
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
253.98g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
254.067g/mol
Monoisotopic Mass:
253.98g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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