CID 22811752
PubChem CID
22811752
Structure
Molecular Formula
Status
Non-live
Molecular Weight
152.17 g/mol
Dates
- Create:2007-12-05
Chemical Structure Depiction
(2S)-2-(deuterioamino)-2-phenylacetic acid
InChI=1S/C8H9NO2/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7H,9H2,(H,10,11)/t7-/m0/s1/i/hD
ZGUNAGUHMKGQNY-GYCCCYJJSA-N
[2H]N[C@@H](C1=CC=CC=C1)C(=O)O
C8H9NO2
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
152.17 g/mol
Property Name
XLogP3
Property Value
-1.7
Property Name
Hydrogen Bond Donor Count
Property Value
2
Property Name
Hydrogen Bond Acceptor Count
Property Value
3
Property Name
Rotatable Bond Count
Property Value
2
Property Name
Exact Mass
Property Value
152.069605276 g/mol
Property Name
Monoisotopic Mass
Property Value
152.069605276 g/mol
Property Name
Topological Polar Surface Area
Property Value
63.3 A^2
Property Name
Heavy Atom Count
Property Value
11
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
141
Property Name
Isotope Atom Count
Property Value
1
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