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123463-12-7 | Bicyclo[2.2.1]heptane-1-carboxylic acid, 4-iodo-, methyl ester
CAS No: 123463-12-7 Catalog No: AG000KOA MDL No:
Product Description
Catalog Number:
AG000KOA
Chemical Name:
Bicyclo[2.2.1]heptane-1-carboxylic acid, 4-iodo-, methyl ester
CAS Number:
123463-12-7
Molecular Formula:
C9H13IO2
Molecular Weight:
280.1028
IUPAC Name:
methyl 4-iodobicyclo[2.2.1]heptane-1-carboxylate
InChI:
InChI=1S/C9H13IO2/c1-12-7(11)8-2-4-9(10,6-8)5-3-8/h2-6H2,1H3
InChI Key:
PTTJFMDUWQLFIJ-UHFFFAOYSA-N
SMILES:
COC(=O)C12CCC(C2)(CC1)I
Properties
Complexity:
217
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:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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