CID 21252200
PubChem CID
21252200
Structure
Molecular Formula
Status
Non-live
Molecular Weight
234.21 g/mol
Dates
- Create:2007-12-05
Chemical Structure Depiction
ethyl 2-phenylacetate;fluoroform
InChI=1S/C10H12O2.CHF3/c1-2-12-10(11)8-9-6-4-3-5-7-9;2-1(3)4/h3-7H,2,8H2,1H3;1H
RSHZMTONJDVDTK-UHFFFAOYSA-N
CCOC(=O)CC1=CC=CC=C1.C(F)(F)F
C11H13F3O2
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
234.21 g/mol
Property Name
Hydrogen Bond Donor Count
Property Value
0
Property Name
Hydrogen Bond Acceptor Count
Property Value
5
Property Name
Rotatable Bond Count
Property Value
4
Property Name
Exact Mass
Property Value
234.08676414 g/mol
Property Name
Monoisotopic Mass
Property Value
234.08676414 g/mol
Property Name
Topological Polar Surface Area
Property Value
26.3 A^2
Property Name
Heavy Atom Count
Property Value
16
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
145
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