CID 34364491
PubChem CID
34364491
Structure
Molecular Formula
Status
Non-live
Molecular Weight
239.29 g/mol
Dates
- Create:2009-05-29
Chemical Structure Depiction
3-[4-(3-methylphenyl)phenyl]propanoate
InChI=1S/C16H16O2/c1-12-3-2-4-15(11-12)14-8-5-13(6-9-14)7-10-16(17)18/h2-6,8-9,11H,7,10H2,1H3,(H,17,18)/p-1
KYGMNPDIGQPPIF-UHFFFAOYSA-M
CC1=CC(=CC=C1)C2=CC=C(C=C2)CCC(=O)[O-]
C16H15O2-
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
239.29 g/mol
Property Name
XLogP3-AA
Property Value
4.3
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
239.107204717 g/mol
Property Name
Monoisotopic Mass
Property Value
239.107204717 g/mol
Property Name
Topological Polar Surface Area
Property Value
40.1 A^2
Property Name
Heavy Atom Count
Property Value
18
Property Name
Formal Charge
Property Value
-1
Property Name
Complexity
Property Value
261
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
CONTENTS