Sodium Phenolate Trihydrate

CAT: 1596-AR-P31193-06Size: 250 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-P31193-06Size:250 Units

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CAS Number

156150-40-2

Molecular Formula

C6H5O. Na

Molecular Weight

93.11 22.99

API Name

Phenol

Chemical Information

Sodium Phenoxide Trihydrate

CAS Number	156150-40-2
PubChem CID	23681143
IUPAC Name	sodium;phenoxide;trihydrate
Molecular Formula	C6H11NaO4
Molecular Weight	170.14
Topological Polar Surface Area	26.1
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Heavy Atom Count	11
Formal Charge	0
Complexity	50

SMILES

C1=CC=C(C=C1)[O-].O.O.O.[Na+]

InChI

InChI=1S/C6H6O.Na.3H2O/c7-6-4-2-1-3-5-6;;;;/h1-5,7H;;3*1H2/q;+1;;;/p-1

InChIKey

QAJGUMORHHJFNJ-UHFFFAOYSA-M

Chemical Structure

2D Structure

CAS: 156150-40-2

CID: 23681143

Formula: C6H11NaO4

MW: 170.14

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	170.14
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Exact Mass	170.05550311
Monoisotopic Mass	170.05550311
Topological Polar Surface Area	26.1 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	50.5
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	5
Compound Is Canonicalized	Yes

Catalog	Name
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