CID 23128649
PubChem CID
23128649
Structure
Molecular Formula
Status
Non-live
Molecular Weight
302.35 g/mol
Dates
- Create:2007-12-05
Chemical Structure Depiction
5-amino-2-hydroxybenzoic acid;2-(dimethylamino)-3-sulfanylpropanoic acid
InChI=1S/C7H7NO3.C5H11NO2S/c8-4-1-2-6(9)5(3-4)7(10)11;1-6(2)4(3-9)5(7)8/h1-3,9H,8H2,(H,10,11);4,9H,3H2,1-2H3,(H,7,8)
FMRHCOCHYFXTHZ-UHFFFAOYSA-N
CN(C)C(CS)C(=O)O.C1=CC(=C(C=C1N)C(=O)O)O
C12H18N2O5S
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
302.35 g/mol
Property Name
Hydrogen Bond Donor Count
Property Value
5
Property Name
Hydrogen Bond Acceptor Count
Property Value
8
Property Name
Rotatable Bond Count
Property Value
4
Property Name
Exact Mass
Property Value
302.09364285 g/mol
Property Name
Monoisotopic Mass
Property Value
302.09364285 g/mol
Property Name
Topological Polar Surface Area
Property Value
125 A^2
Property Name
Heavy Atom Count
Property Value
20
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
265
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
1
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