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2138087-27-9 | 7-iodo-octahydro-1-benzofuran
CAS No: 2138087-27-9 Catalog No: AG01ELW7 MDL No:MFCD31558959
Product Description
Catalog Number:
AG01ELW7
Chemical Name:
7-iodo-octahydro-1-benzofuran
CAS Number:
2138087-27-9
Molecular Formula:
C8H13IO
Molecular Weight:
252.0927
MDL Number:
MFCD31558959
IUPAC Name:
7-iodo-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran
InChI:
InChI=1S/C8H13IO/c9-7-3-1-2-6-4-5-10-8(6)7/h6-8H,1-5H2
InChI Key:
LROJVYJZYPMOKA-UHFFFAOYSA-N
SMILES:
IC1CCCC2C1OCC2
Properties
Complexity:
126
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.001g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
252.095g/mol
Monoisotopic Mass:
252.001g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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