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1643386-07-5 | 2-(iodomethyl)-octahydro-1-benzofuran, Mixture of diastereomers
CAS No: 1643386-07-5 Catalog No: AG01ELXR MDL No:
Product Description
Catalog Number:
AG01ELXR
Chemical Name:
2-(iodomethyl)-octahydro-1-benzofuran, Mixture of diastereomers
CAS Number:
1643386-07-5
Molecular Formula:
C9H15IO
Molecular Weight:
266.1193
IUPAC Name:
2-(iodomethyl)-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran
InChI:
InChI=1S/C9H15IO/c10-6-8-5-7-3-1-2-4-9(7)11-8/h7-9H,1-6H2
InChI Key:
BEGLGHHJJMBSRC-UHFFFAOYSA-N
SMILES:
ICC1CC2C(O1)CCCC2
Properties
Complexity:
138
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.017g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
266.122g/mol
Monoisotopic Mass:
266.017g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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