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116544-91-3 | Methanesulfinic acid, cyclohexyl ester
CAS No: 116544-91-3 Catalog No: AG000CQQ MDL No:
Product Description
Catalog Number:
AG000CQQ
Chemical Name:
Methanesulfinic acid, cyclohexyl ester
CAS Number:
116544-91-3
Molecular Formula:
C7H14O2S
Molecular Weight:
162.2499
IUPAC Name:
cyclohexyl methanesulfinate
InChI:
InChI=1S/C7H14O2S/c1-10(8)9-7-5-3-2-4-6-7/h7H,2-6H2,1H3
InChI Key:
UYXKOGPKSZSLHL-UHFFFAOYSA-N
SMILES:
CS(=O)OC1CCCCC1
Properties
Complexity:
119
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.071g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
162.247g/mol
Monoisotopic Mass:
162.071g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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