CID 39335213
PubChem CID
39335213
Structure
Molecular Formula
Status
Non-live
Molecular Weight
238.30 g/mol
Dates
- Create:2009-05-29
Chemical Structure Depiction
[(2S)-1-(3,4-dimethoxyphenyl)-3-methyl-1-oxobutan-2-yl]azanium
InChI=1S/C13H19NO3/c1-8(2)12(14)13(15)9-5-6-10(16-3)11(7-9)17-4/h5-8,12H,14H2,1-4H3/p+1/t12-/m0/s1
OIBCHCMYWZTBPT-LBPRGKRZSA-O
CC(C)[C@@H](C(=O)C1=CC(=C(C=C1)OC)OC)[NH3+]
C13H20NO3+
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
238.30 g/mol
Property Name
XLogP3-AA
Property Value
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
5
Property Name
Exact Mass
Property Value
238.14431850 g/mol
Property Name
Monoisotopic Mass
Property Value
238.14431850 g/mol
Property Name
Topological Polar Surface Area
Property Value
63.2 A^2
Property Name
Heavy Atom Count
Property Value
17
Property Name
Formal Charge
Property Value
1
Property Name
Complexity
Property Value
255
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