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1934449-38-3 | 7a-(iodomethyl)-octahydro-1-benzofuran-2-one
CAS No: 1934449-38-3 Catalog No: AG01BE83 MDL No:MFCD29931269
Product Description
Catalog Number:
AG01BE83
Chemical Name:
7a-(iodomethyl)-octahydro-1-benzofuran-2-one
CAS Number:
1934449-38-3
Molecular Formula:
C9H13IO2
Molecular Weight:
280.1028
MDL Number:
MFCD29931269
IUPAC Name:
7a-(iodomethyl)-3,3a,4,5,6,7-hexahydro-1-benzofuran-2-one
InChI:
InChI=1S/C9H13IO2/c10-6-9-4-2-1-3-7(9)5-8(11)12-9/h7H,1-6H2
InChI Key:
CNGDXTAVLJNKBB-UHFFFAOYSA-N
SMILES:
ICC12CCCCC2CC(=O)O1
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.996g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
280.105g/mol
Monoisotopic Mass:
279.996g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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