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CID 76851928

PubChem CID
76851928
Structure
CID 76851928_small.png
Preferred Compound
Molecular Formula
Status
Non-live
Molecular Weight
157.13 g/mol
Dates
  • Create:
    2014-08-06

1 Structures

1.1 2D Structure

Chemical Structure Depiction
CID 76851928.png

2 Names and Identifiers

2.1 Computed Descriptors

2.1.1 IUPAC Name

(Z)-2-acetamido-2-diazonio-1-hydrazinylethenolate

2.1.2 InChI

InChI=1S/C4H7N5O2/c1-2(10)7-3(8-5)4(11)9-6/h1H3,(H4,5,6,7,8,9,10,11)

2.1.3 InChIKey

WFIXOCHHLJICDP-UHFFFAOYSA-N

2.1.4 SMILES

CC(=O)N/C(=C(\NN)/[O-])/[N+]#N

2.2 Molecular Formula

C4H7N5O2

3 Chemical and Physical Properties

3.1 Computed Properties

Property Name
Molecular Weight
Property Value
157.13 g/mol
Property Name
XLogP3-AA
Property Value
0.8
Property Name
Hydrogen Bond Donor Count
Property Value
3
Property Name
Hydrogen Bond Acceptor Count
Property Value
5
Property Name
Rotatable Bond Count
Property Value
2
Property Name
Exact Mass
Property Value
157.05997448 g/mol
Property Name
Monoisotopic Mass
Property Value
157.05997448 g/mol
Property Name
Topological Polar Surface Area
Property Value
118 A^2
Property Name
Heavy Atom Count
Property Value
11
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
236
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
1
Property Name
Compound Is Canonicalized
Property Value
Yes

5 Information Sources

CONTENTS