CID 39355813
PubChem CID
39355813
Structure
Molecular Formula
Status
Non-live
Molecular Weight
252.31 g/mol
Dates
- Create:2009-05-29
Chemical Structure Depiction
(1S)-3-(1,3-dioxolan-2-yl)-1-(2-ethoxyphenyl)propan-1-ol
InChI=1S/C14H20O4/c1-2-16-13-6-4-3-5-11(13)12(15)7-8-14-17-9-10-18-14/h3-6,12,14-15H,2,7-10H2,1H3/t12-/m0/s1
PPWYZYSNGWMJTF-LBPRGKRZSA-N
CCOC1=CC=CC=C1[C@H](CCC2OCCO2)O
C14H20O4
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
252.31 g/mol
Property Name
XLogP3-AA
Property Value
1.8
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
4
Property Name
Rotatable Bond Count
Property Value
6
Property Name
Exact Mass
Property Value
252.13615911 g/mol
Property Name
Monoisotopic Mass
Property Value
252.13615911 g/mol
Property Name
Topological Polar Surface Area
Property Value
47.9 A^2
Property Name
Heavy Atom Count
Property Value
18
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
228
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
Old substance
CONTENTS