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CID 17907049

PubChem CID
17907049
Structure
CID 17907049_small.png
Molecular Formula
Status
Non-live
Molecular Weight
162.17 g/mol
Dates
  • Create:
    2007-12-04

1 Structures

1.1 2D Structure

Chemical Structure Depiction
CID 17907049.png

2 Names and Identifiers

2.1 Computed Descriptors

2.1.1 IUPAC Name

azanium;(E)-but-2-enedihydrazide

2.1.2 InChI

InChI=1S/C4H8N4O2.H3N/c5-7-3(9)1-2-4(10)8-6;/h1-2H,5-6H2,(H,7,9)(H,8,10);1H3/p+1/b2-1+;

2.1.3 InChIKey

POBJAEYDZZOYAW-TYYBGVCCSA-O

2.1.4 SMILES

C(=C/C(=O)NN)\C(=O)NN.[NH4+]

2.2 Molecular Formula

C4H12N5O2+

3 Chemical and Physical Properties

3.1 Computed Properties

Property Name
Molecular Weight
Property Value
162.17 g/mol
Property Name
Hydrogen Bond Donor Count
Property Value
5
Property Name
Hydrogen Bond Acceptor Count
Property Value
4
Property Name
Rotatable Bond Count
Property Value
2
Property Name
Exact Mass
Property Value
162.09909964 g/mol
Property Name
Monoisotopic Mass
Property Value
162.09909964 g/mol
Property Name
Topological Polar Surface Area
Property Value
111 A^2
Property Name
Heavy Atom Count
Property Value
11
Property Name
Formal Charge
Property Value
1
Property Name
Complexity
Property Value
147
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
0
Property Name
Defined Bond Stereocenter Count
Property Value
1
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

5 Information Sources

CONTENTS