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154145-12-7 | 2(3H)-Furanone, 5-ethyldihydro-4-iodo-, trans-
CAS No: 154145-12-7 Catalog No: AG007GRX MDL No:
Product Description
Catalog Number:
AG007GRX
Chemical Name:
2(3H)-Furanone, 5-ethyldihydro-4-iodo-, trans-
CAS Number:
154145-12-7
Molecular Formula:
C6H9IO2
Molecular Weight:
240.0389
IUPAC Name:
(4R,5S)-5-ethyl-4-iodooxolan-2-one
InChI:
InChI=1S/C6H9IO2/c1-2-5-4(7)3-6(8)9-5/h4-5H,2-3H2,1H3/t4-,5+/m1/s1
InChI Key:
IWKBGIQWTJPYTP-UHNVWZDZSA-N
SMILES:
CC[C@@H]1OC(=O)C[C@H]1I
Properties
Complexity:
124
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
239.965g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
240.04g/mol
Monoisotopic Mass:
239.965g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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