CID 18930807
PubChem CID
18930807
Structure
Molecular Formula
Status
Non-live
Molecular Weight
163.2 g/mol
Dates
- Create:2007-12-04
Chemical Structure Depiction
lithium;4-methylbenzenesulfinic acid
InChI=1S/C7H8O2S.Li/c1-6-2-4-7(5-3-6)10(8)9;/h2-5H,1H3,(H,8,9);/q;+1
MSUZXYWQEDRGFN-UHFFFAOYSA-N
[Li+].CC1=CC=C(C=C1)S(=O)O
C7H8LiO2S+
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
163.2 g/mol
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
3
Property Name
Rotatable Bond Count
Property Value
1
Property Name
Exact Mass
Property Value
163.04050410 g/mol
Property Name
Monoisotopic Mass
Property Value
163.04050410 g/mol
Property Name
Topological Polar Surface Area
Property Value
56.5 A^2
Property Name
Heavy Atom Count
Property Value
11
Property Name
Formal Charge
Property Value
1
Property Name
Complexity
Property Value
128
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
0
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Property Name
Defined Bond Stereocenter Count
Property Value
0
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Property Name
Covalently-Bonded Unit Count
Property Value
2
Property Name
Compound Is Canonicalized
Property Value
Yes
Old substance
CONTENTS