CID 28292787
PubChem CID
28292787
Structure
Molecular Formula
Status
Non-live
Molecular Weight
205.27 g/mol
Dates
- Create:2009-05-28
Chemical Structure Depiction
(2R)-2-(4-propan-2-ylphenyl)butanoate
InChI=1S/C13H18O2/c1-4-12(13(14)15)11-7-5-10(6-8-11)9(2)3/h5-9,12H,4H2,1-3H3,(H,14,15)/p-1/t12-/m1/s1
GUAMCSTYGNRYKT-GFCCVEGCSA-M
CC[C@H](C1=CC=C(C=C1)C(C)C)C(=O)[O-]
C13H17O2-
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
205.27 g/mol
Property Name
XLogP3-AA
Property Value
4.1
Property Name
Hydrogen Bond Donor Count
Property Value
0
Property Name
Hydrogen Bond Acceptor Count
Property Value
2
Property Name
Rotatable Bond Count
Property Value
3
Property Name
Exact Mass
Property Value
205.122854781 g/mol
Property Name
Monoisotopic Mass
Property Value
205.122854781 g/mol
Property Name
Topological Polar Surface Area
Property Value
40.1 A^2
Property Name
Heavy Atom Count
Property Value
15
Property Name
Formal Charge
Property Value
-1
Property Name
Complexity
Property Value
197
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
1
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
CONTENTS