CID 39360673
PubChem CID
39360673
Structure
Molecular Formula
Status
Non-live
Molecular Weight
259.32 g/mol
Dates
- Create:2009-05-29
Chemical Structure Depiction
(3S)-3-cyclopropyl-3-hydroxy-3-(5,6,7,8-tetrahydronaphthalen-2-yl)propanoate
InChI=1S/C16H20O3/c17-15(18)10-16(19,13-7-8-13)14-6-5-11-3-1-2-4-12(11)9-14/h5-6,9,13,19H,1-4,7-8,10H2,(H,17,18)/p-1/t16-/m0/s1
UQRUSJAMNZRLMB-INIZCTEOSA-M
C1CCC2=C(C1)C=CC(=C2)[C@](CC(=O)[O-])(C3CC3)O
C16H19O3-
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
259.32 g/mol
Property Name
XLogP3-AA
Property Value
3.2
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
3
Property Name
Exact Mass
Property Value
259.133419464 g/mol
Property Name
Monoisotopic Mass
Property Value
259.133419464 g/mol
Property Name
Topological Polar Surface Area
Property Value
60.4 A^2
Property Name
Heavy Atom Count
Property Value
19
Property Name
Formal Charge
Property Value
-1
Property Name
Complexity
Property Value
344
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