CID 28663556
PubChem CID
28663556
Structure
Molecular Formula
Status
Non-live
Molecular Weight
206.26 g/mol
Dates
- Create:2009-05-28
Chemical Structure Depiction
3-(4-propan-2-ylanilino)propanoate
InChI=1S/C12H17NO2/c1-9(2)10-3-5-11(6-4-10)13-8-7-12(14)15/h3-6,9,13H,7-8H2,1-2H3,(H,14,15)/p-1
PLDCSFTVBLNNCP-UHFFFAOYSA-M
CC(C)C1=CC=C(C=C1)NCCC(=O)[O-]
C12H16NO2-
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
206.26 g/mol
Property Name
XLogP3-AA
Property Value
3.7
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
3
Property Name
Rotatable Bond Count
Property Value
4
Property Name
Exact Mass
Property Value
206.118103753 g/mol
Property Name
Monoisotopic Mass
Property Value
206.118103753 g/mol
Property Name
Topological Polar Surface Area
Property Value
52.2 A^2
Property Name
Heavy Atom Count
Property Value
15
Property Name
Formal Charge
Property Value
-1
Property Name
Complexity
Property Value
190
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
Old substance
Old substance
CONTENTS