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Home > Other Heterocycles > 89032-33-7
89032-33-7 | Bicyclo[3.1.0]hexan-2-ol, 4,6-bis(methylene)-, methanesulfonate
CAS No: 89032-33-7 Catalog No: AG0043YJ MDL No:
Product Description
Catalog Number:
AG0043YJ
Chemical Name:
Bicyclo[3.1.0]hexan-2-ol, 4,6-bis(methylene)-, methanesulfonate
CAS Number:
89032-33-7
Molecular Formula:
C9H14O4S
Molecular Weight:
218.2701
IUPAC Name:
4,6-dimethylidenebicyclo[3.1.0]hexan-2-ol;methanesulfonic acid
InChI:
InChI=1S/C8H10O.CH4O3S/c1-4-3-6(9)8-5(2)7(4)8;1-5(2,3)4/h6-9H,1-3H2;1H3,(H,2,3,4)
InChI Key:
ZFZPHJJWOBLRGH-UHFFFAOYSA-N
SMILES:
CS(=O)(=O)O.OC1CC(=C)C2C1C2=C
Properties
Complexity:
285
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.061g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
218.267g/mol
Monoisotopic Mass:
218.061g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
83A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
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