SODIUM PHENYLPHENATE

General Information

Mainterm	SODIUM PHENYLPHENATE
CAS Reg.No.(or other ID)	1322-21-0
Regnum	175.105 175.300 176.170 177.1210

From www.fda.gov

Computed Descriptors

2D Structure
CID	23678870
IUPAC Name	sodium;4-phenylphenolate
InChI	InChI=1S/C12H10O.Na/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10;/h1-9,13H;/q;+1/p-1
InChI Key	PJOIPAGEBPZNSD-UHFFFAOYSA-M
Canonical SMILES	C1=CC=C(C=C1)C2=CC=C(C=C2)[O-].[Na+]
Molecular Formula	C12H9NaO
Wikipedia	p-phenylphenol sodium

From Pubchem

Computed Properties

Property Name	Property Value
Molecular Weight	192.193
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Complexity	146.0
CACTVS Substructure Key Fingerprint	A A A D c c B w I C A A A A A A A A A A A A A A A A A A A A A A A A A w Y A A A A A A A A A A B Q A A A G g A A A A A A D A S A m A A w B o A A A A C A A i B C A A A C A A A g I A A I i A A G C I g I J i K A E R K A M A A k w B E I i A e A w P A O o A A A A A A A A A B A A A A A A A A A A A A A A A A A A A = =
Topological Polar Surface Area	23.1
Monoisotopic Mass	192.055
Exact Mass	192.055
Compound Is Canonicalized	True
Formal Charge	0
Heavy Atom Count	14
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Isotope Atom Count	0
Covalently-Bonded Unit Count	2

From Pubchem

Taxonomic Classification

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Biphenyls and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Biphenyls and derivatives
Alternative Parents	Organic cations Hydrocarbon derivatives Organic oxides Organooxygen compounds Organic sodium salts Phenoxides
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Biphenyl - Phenoxide - Organic alkali metal salt - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic sodium salt - Organic salt - Organooxygen compound - Organic cation - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond.

From ClassyFire