CID 17783460
PubChem CID
17783460
Structure
Molecular Formula
Status
Non-live
Molecular Weight
258.22 g/mol
Dates
- Create:2007-12-04
Chemical Structure Depiction
2,3-dihydroxypropyl 2-methylprop-2-enoate;furan-2,5-dione
InChI=1S/C7H12O4.C4H2O3/c1-5(2)7(10)11-4-6(9)3-8;5-3-1-2-4(6)7-3/h6,8-9H,1,3-4H2,2H3;1-2H
GPKFUTOHSZBFTK-UHFFFAOYSA-N
CC(=C)C(=O)OCC(CO)O.C1=CC(=O)OC1=O
C11H14O7
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
258.22 g/mol
Property Name
Hydrogen Bond Donor Count
Property Value
2
Property Name
Hydrogen Bond Acceptor Count
Property Value
7
Property Name
Rotatable Bond Count
Property Value
5
Property Name
Exact Mass
Property Value
258.07395278 g/mol
Property Name
Monoisotopic Mass
Property Value
258.07395278 g/mol
Property Name
Topological Polar Surface Area
Property Value
110 A^2
Property Name
Heavy Atom Count
Property Value
18
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
282
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