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89609-36-9 | 2(3H)-Furanone, dihydro-5-(iodomethyl)-3,4,4-trimethyl-, trans-
CAS No: 89609-36-9 Catalog No: AG003YPZ MDL No:
Product Description
Catalog Number:
AG003YPZ
Chemical Name:
2(3H)-Furanone, dihydro-5-(iodomethyl)-3,4,4-trimethyl-, trans-
CAS Number:
89609-36-9
Molecular Formula:
C8H13IO2
Molecular Weight:
268.0921
IUPAC Name:
5-(iodomethyl)-3,4,4-trimethyloxolan-2-one
InChI:
InChI=1S/C8H13IO2/c1-5-7(10)11-6(4-9)8(5,2)3/h5-6H,4H2,1-3H3
InChI Key:
XXAQSYOEBLQJQN-UHFFFAOYSA-N
SMILES:
IC[C@@H]1OC(=O)[C@H](C1(C)C)C
Properties
Complexity:
177
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.996g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
268.094g/mol
Monoisotopic Mass:
267.996g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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