Home Carboxys 8-iodocubane-1-carboxylic acid

8-iodocubane-1-carboxylic acid

CAS No.:
111873-46-2
Catalog Number:
AG01EIN8
Molecular Formula:
C9H7IO2
Molecular Weight:
274.0552
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Product Description
Catalog Number:
AG01EIN8
Chemical Name:
8-iodocubane-1-carboxylic acid
CAS Number:
111873-46-2
Molecular Formula:
C9H7IO2
Molecular Weight:
274.0552
MDL Number:
MFCD30723376
IUPAC Name:
4-iodocubane-1-carboxylic acid
InChI:
InChI=1S/C9H7IO2/c10-9-4-1-5(9)3-6(9)2(4)8(1,3)7(11)12/h1-6H,(H,11,12)
InChI Key:
UQMHINRLKQGLQV-UHFFFAOYSA-N
SMILES:
OC(=O)C12C3C4C2C2C1C3C42I
NSC Number:
640892
Properties
Complexity:
315  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.949g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
274.057g/mol
Monoisotopic Mass:
273.949g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties