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102304-99-4 | 7-Oxabicyclo[2.2.1]heptan-2-one, 1-(iodomethyl)-3,3-dimethyl-, (1R)- (9CI)
CAS No: 102304-99-4 Catalog No: AG00076G MDL No:
Product Description
Catalog Number:
AG00076G
Chemical Name:
7-Oxabicyclo[2.2.1]heptan-2-one, 1-(iodomethyl)-3,3-dimethyl-, (1R)- (9CI)
CAS Number:
102304-99-4
Molecular Formula:
C9H13IO2
Molecular Weight:
280.1028
IUPAC Name:
1-(iodomethyl)-3,3-dimethyl-7-oxabicyclo[2.2.1]heptan-2-one
InChI:
InChI=1S/C9H13IO2/c1-8(2)6-3-4-9(5-10,12-6)7(8)11/h6H,3-5H2,1-2H3
InChI Key:
OMHCADZIYVSTHH-UHFFFAOYSA-N
SMILES:
IC[C@]12CCC(O1)C(C2=O)(C)C
Properties
Complexity:
237
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:
2.1
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