CID 39366107
PubChem CID
39366107
Structure
Molecular Formula
Status
Non-live
Molecular Weight
268.33 g/mol
Dates
- Create:2009-05-29
Chemical Structure Depiction
[(2S)-3-(2,6-dimethoxyphenoxy)-2-hydroxypropyl]-prop-2-enylazanium
InChI=1S/C14H21NO4/c1-4-8-15-9-11(16)10-19-14-12(17-2)6-5-7-13(14)18-3/h4-7,11,15-16H,1,8-10H2,2-3H3/p+1/t11-/m0/s1
GUNGCFRYYKGJEV-NSHDSACASA-O
COC1=C(C(=CC=C1)OC)OC[C@H](C[NH2+]CC=C)O
C14H22NO4+
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
268.33 g/mol
Property Name
XLogP3
Property Value
1.5
Property Name
Hydrogen Bond Donor Count
Property Value
2
Property Name
Hydrogen Bond Acceptor Count
Property Value
4
Property Name
Rotatable Bond Count
Property Value
9
Property Name
Exact Mass
Property Value
268.15488318 g/mol
Property Name
Monoisotopic Mass
Property Value
268.15488318 g/mol
Property Name
Topological Polar Surface Area
Property Value
64.5 A^2
Property Name
Heavy Atom Count
Property Value
19
Property Name
Formal Charge
Property Value
1
Property Name
Complexity
Property Value
238
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