1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

sodium;N-cyano-N-methylcarbamate

2.1.2 InChI

InChI=1S/C3H4N2O2.Na/c1-5(2-4)3(6)7;/h1H3,(H,6,7);/q;+1/p-1

2.1.3 InChI Key

UVJYATLICUROFI-UHFFFAOYSA-M

2.1.4 Canonical SMILES

CN(C#N)C(=O)[O-].[Na+]

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 51234-98-1

2. Sodium;n-cyano-n-methylcarbamate

3. Dtxsid40199245

4. Einecs 257-073-9

2.3 Create Date

2009-08-20

3 Chemical and Physical Properties

Molecular Formula	C₃H₃N₂NaO₂
Molecular Weight	122.06 g/mol
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	122.00922162 g/mol
Monoisotopic Mass	122.00922162 g/mol
Topological Polar Surface Area	67.2 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	127
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2

CAS 51234-98-1