CID 38912948
PubChem CID
38912948
Structure
Molecular Formula
Status
Non-live
Molecular Weight
311.14 g/mol
Dates
- Create:2009-05-29
Chemical Structure Depiction
hydroxy-[4-(4-phosphonatophenyl)phenyl]phosphinate
InChI=1S/C12H12O6P2/c13-19(14,15)11-5-1-9(2-6-11)10-3-7-12(8-4-10)20(16,17)18/h1-8H,(H2,13,14,15)(H2,16,17,18)/p-3
QWSZMKCGMDROKE-UHFFFAOYSA-K
C1=CC(=CC=C1C2=CC=C(C=C2)P(=O)([O-])[O-])P(=O)(O)[O-]
C12H9O6P2-3
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
311.14 g/mol
Property Name
XLogP3-AA
Property Value
-0.6
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
6
Property Name
Rotatable Bond Count
Property Value
2
Property Name
Exact Mass
Property Value
310.98743700 g/mol
Property Name
Monoisotopic Mass
Property Value
310.98743700 g/mol
Property Name
Topological Polar Surface Area
Property Value
124 A^2
Property Name
Heavy Atom Count
Property Value
20
Property Name
Formal Charge
Property Value
-3
Property Name
Complexity
Property Value
398
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
1
Property Name
Compound Is Canonicalized
Property Value
Yes
Old substance
Old substance
CONTENTS