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154335-57-6 | ethyl [(1S)-7,7-dimethyl-2-oxobicyclo[2.2.1]heptan-1-yl]methanesulfonate
CAS No: 154335-57-6 Catalog No: AG01C55O MDL No:
Product Description
Catalog Number:
AG01C55O
Chemical Name:
ethyl [(1S)-7,7-dimethyl-2-oxobicyclo[2.2.1]heptan-1-yl]methanesulfonate
CAS Number:
154335-57-6
Molecular Formula:
C12H20O4S
Molecular Weight:
260.3498
IUPAC Name:
ethyl [(1S)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methanesulfonate
InChI:
InChI=1S/C12H20O4S/c1-4-16-17(14,15)8-12-6-5-9(7-10(12)13)11(12,2)3/h9H,4-8H2,1-3H3/t9?,12-/m1/s1
InChI Key:
FXHGNNYOXDWQFY-FFFFSGIJSA-N
SMILES:
CCOS(=O)(=O)C[C@]12CCC(C2(C)C)CC1=O
Properties
Complexity:
432
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
260.108g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
260.348g/mol
Monoisotopic Mass:
260.108g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
68.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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