Sodium;benzonitrile;hydroxide

C7H6NNaO — CID 174884418

IUPACsodium;benzonitrile;hydroxide
SMILESC1=CC=C(C=C1)C#N.[OH-].[Na+]
InChIInChI=1S/C7H5N.Na.H2O/c8-6-7-4-2-1-3-5-7;;/h1-5H;;1H2/q;+1;/p-1
InChIKeyYHKSQKXKGSCEMS-UHFFFAOYSA-M
MW143.12 g/mol
LogP—
Rot. Bonds

About Sodium;benzonitrile;hydroxide

Sodium;benzonitrile;hydroxide (PubChem CID 174884418) has the molecular formula C7H6NNaO and a molecular weight of 143.12 g/mol. Its IUPAC name is sodium;benzonitrile;hydroxide.

Molecular Properties

Compound NameSodium;benzonitrile;hydroxide
PubChem CID174884418
Molecular FormulaC7H6NNaO
Molecular Weight143.12 g/mol
Exact Mass143.03
IUPAC Namesodium;benzonitrile;hydroxide
SMILESC1=CC=C(C=C1)C#N.[OH-].[Na+]
InChIInChI=1S/C7H5N.Na.H2O/c8-6-7-4-2-1-3-5-7;;/h1-5H;;1H2/q;+1;/p-1
InChIKeyYHKSQKXKGSCEMS-UHFFFAOYSA-M
XLogP—
TPSA24.80 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity105

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Benzonitrile
CID 7505
Phenylacetonitrile
CID 8794
Isophthalonitrile
CID 12276
Phthalonitrile
CID 7042
Benzenepropanenitrile
CID 12581
3-Tolunitrile
CID 12104
p-Tolunitrile
CID 7724
2-Methylbenzonitrile
CID 10721
Cinnamonitrile
CID 1550846
Benzeneacetonitrile, 4-fluoro-
CID 68016
4-Cyanophenylboronic acid
CID 2734326
Benzenebutanenitrile
CID 74897

Frequently Asked Questions

What is the IUPAC name of Sodium;benzonitrile;hydroxide?
The IUPAC name of Sodium;benzonitrile;hydroxide (CID 174884418) is sodium;benzonitrile;hydroxide.
What is the SMILES notation for Sodium;benzonitrile;hydroxide?
The canonical SMILES for Sodium;benzonitrile;hydroxide is C1=CC=C(C=C1)C#N.[OH-].[Na+].
What is the InChIKey of Sodium;benzonitrile;hydroxide?
The InChIKey is YHKSQKXKGSCEMS-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H5N.Na.H2O/c8-6-7-4-2-1-3-5-7;;/h1-5H;;1H2/q;+1;/p-1.
What are the key properties of Sodium;benzonitrile;hydroxide?
Sodium;benzonitrile;hydroxide has a molecular weight of 143.12 g/mol, XLogP of not available, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for Sodium;benzonitrile;hydroxide is sourced from PubChem (CID 174884418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).