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Home > Other Heterocycles > 73413-79-3
73413-79-3 | Bicyclo[2.2.1]heptane-1-methanesulfonicacid, 7,7-dimethyl-2,3-dioxo-, (1S,4S)-
CAS No: 73413-79-3 Catalog No: AG005E44 MDL No:
Product Description
Catalog Number:
AG005E44
Chemical Name:
Bicyclo[2.2.1]heptane-1-methanesulfonicacid, 7,7-dimethyl-2,3-dioxo-, (1S,4S)-
CAS Number:
73413-79-3
Molecular Formula:
C10H14O5S
Molecular Weight:
246.2802
IUPAC Name:
[(1S,4S)-7,7-dimethyl-2,3-dioxo-1-bicyclo[2.2.1]heptanyl]methanesulfonic acid
InChI:
InChI=1S/C10H14O5S/c1-9(2)6-3-4-10(9,5-16(13,14)15)8(12)7(6)11/h6H,3-5H2,1-2H3,(H,13,14,15)/t6-,10-/m1/s1
InChI Key:
VQHWAOZYKVGMQX-LHLIQPBNSA-N
SMILES:
O=C1[C@H]2CC[C@@](C1=O)(C2(C)C)CS(=O)(=O)O
Properties
Complexity:
470
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
246.056g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
246.277g/mol
Monoisotopic Mass:
246.056g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
96.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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