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105555-18-8 | 2H-Cyclopenta[b]furan-2-one, 5-(3-butenyl)hexahydro-6-iodo-
CAS No: 105555-18-8 Catalog No: AG007W32 MDL No:
Product Description
Catalog Number:
AG007W32
Chemical Name:
2H-Cyclopenta[b]furan-2-one, 5-(3-butenyl)hexahydro-6-iodo-
CAS Number:
105555-18-8
Molecular Formula:
C11H15IO2
Molecular Weight:
306.1401
IUPAC Name:
5-but-3-enyl-6-iodo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
InChI:
InChI=1S/C11H15IO2/c1-2-3-4-7-5-8-6-9(13)14-11(8)10(7)12/h2,7-8,10-11H,1,3-6H2
InChI Key:
JBOCHVDWLADTPA-UHFFFAOYSA-N
SMILES:
C=CCCC1CC2C(C1I)OC(=O)C2
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.012g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
306.143g/mol
Monoisotopic Mass:
306.012g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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