CID 39350764
PubChem CID
39350764
Structure
Molecular Formula
Status
Non-live
Molecular Weight
247.31 g/mol
Dates
- Create:2009-05-29
Chemical Structure Depiction
(3R)-3-hydroxy-3-(5,6,7,8-tetrahydronaphthalen-2-yl)pentanoate
InChI=1S/C15H20O3/c1-2-15(18,10-14(16)17)13-8-7-11-5-3-4-6-12(11)9-13/h7-9,18H,2-6,10H2,1H3,(H,16,17)/p-1/t15-/m1/s1
UFOPLPYUVLBQDO-OAHLLOKOSA-M
CC[C@@](CC(=O)[O-])(C1=CC2=C(CCCC2)C=C1)O
C15H19O3-
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
247.31 g/mol
Property Name
XLogP3-AA
Property Value
3.3
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
247.133419464 g/mol
Property Name
Monoisotopic Mass
Property Value
247.133419464 g/mol
Property Name
Topological Polar Surface Area
Property Value
60.4 A^2
Property Name
Heavy Atom Count
Property Value
18
Property Name
Formal Charge
Property Value
-1
Property Name
Complexity
Property Value
297
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