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1989638-12-1 | rac-(3aR,7aR)-7a-(iodomethyl)-octahydro-1-benzofuran-2-one, cis
CAS No: 1989638-12-1 Catalog No: AG01B6IG MDL No:MFCD30347861
Product Description
Catalog Number:
AG01B6IG
Chemical Name:
rac-(3aR,7aR)-7a-(iodomethyl)-octahydro-1-benzofuran-2-one, cis
CAS Number:
1989638-12-1
Molecular Formula:
C9H13IO2
Molecular Weight:
280.1028
MDL Number:
MFCD30347861
IUPAC Name:
(3aR,7aS)-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/t7-,9-/m1/s1
InChI Key:
CNGDXTAVLJNKBB-VXNVDRBHSA-N
SMILES:
IC[C@@]12CCCC[C@H]2CC(=O)O1
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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