CID 19805089
PubChem CID
19805089
Structure
Molecular Formula
Status
Non-live
Molecular Weight
341.4 g/mol
Dates
- Create:2007-12-05
Chemical Structure Depiction
cyclopropane;2-methylprop-2-enoate;propane
InChI=1S/3C4H6O2.C3H6.C3H8/c3*1-3(2)4(5)6;1-2-3-1;1-3-2/h3*1H2,2H3,(H,5,6);1-3H2;3H2,1-2H3/p-3
KQBDVDKQJGOEJH-UHFFFAOYSA-K
CCC.CC(=C)C(=O)[O-].CC(=C)C(=O)[O-].CC(=C)C(=O)[O-].C1CC1
C18H29O6-3
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
341.4 g/mol
Property Name
Hydrogen Bond Donor Count
Property Value
0
Property Name
Hydrogen Bond Acceptor Count
Property Value
6
Property Name
Rotatable Bond Count
Property Value
0
Property Name
Exact Mass
Property Value
341.19641364 g/mol
Property Name
Monoisotopic Mass
Property Value
341.19641364 g/mol
Property Name
Topological Polar Surface Area
Property Value
120A^2
Property Name
Heavy Atom Count
Property Value
24
Property Name
Formal Charge
Property Value
-3
Property Name
Complexity
Property Value
82.8
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
5
Property Name
Compound Is Canonicalized
Property Value
Yes
Old substance
CONTENTS