CID 22325172
PubChem CID
22325172
Structure
Molecular Formula
Status
Non-live
Molecular Weight
159.18 g/mol
Dates
- Create:2007-12-05
Chemical Structure Depiction
acetaldehyde;pyrrolidine-2-carboxylic acid
InChI=1S/C5H9NO2.C2H4O/c7-5(8)4-2-1-3-6-4;1-2-3/h4,6H,1-3H2,(H,7,8);2H,1H3
AKZZIDPCPDPUCP-UHFFFAOYSA-N
CC=O.C1CC(NC1)C(=O)O
C7H13NO3
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
159.18 g/mol
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
1
Property Name
Exact Mass
Property Value
159.08954328 g/mol
Property Name
Monoisotopic Mass
Property Value
159.08954328 g/mol
Property Name
Topological Polar Surface Area
Property Value
66.4 A^2
Property Name
Heavy Atom Count
Property Value
11
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
113
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
0
Property Name
Undefined Atom Stereocenter Count
Property Value
1
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
2
Property Name
Compound Is Canonicalized
Property Value
Yes
Old substance
CONTENTS