4-Hydroxybenzoic acid sodium salt

CAT: 0926-FH46993-01Size: 0.25 kgDry Ice: NoHazardous: No

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CAT#:0926-FH46993-01Size:0.25 kg

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CAS Number

114-63-6

Synonyms

P-Hydroxybenzoic acid sodium salt; Sodium 4-hydroxybenzoate

MDL Number

MFCD00016530

Smiles

C1=CC (=CC=C1C (=O) [O-]) O.[Na+]

Molecular Formula

C7H5O3Na

Molecular Weight

160.1 g/mol

Controlled

Chemical Information

Sodium 4-hydroxybenzoate

Sodium 4-hydroxybenzoate is an organic sodium salt resulting from the replacement of the proton from the carboxy group of 4-hydroxybenzoic acid by a sodium ion. It has a role as a plant metabolite and an algal metabolite. It contains a 4-hydroxybenzoate.

CAS Number	114-63-6
PubChem CID	16219477
IUPAC Name	sodium 4-hydroxybenzoate
Molecular Formula	C7H5NaO3
Molecular Weight	160.10
Topological Polar Surface Area	60.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	11
Formal Charge	0
Complexity	130

SMILES

C1=CC(=CC=C1C(=O)[O-])O.[Na+]

InChI

InChI=1S/C7H6O3.Na/c8-6-3-1-5(2-4-6)7(9)10;/h1-4,8H,(H,9,10);/q;+1/p-1

InChIKey

ZLVSYODPTJZFMK-UHFFFAOYSA-M

Chemical Structure

2D Structure

CAS: 114-63-6

CID: 16219477

Formula: C7H5NaO3

MW: 160.10

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	160.10
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	160.01363830
Monoisotopic Mass	160.01363830
Topological Polar Surface Area	60.4 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	130
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
Compound Is Canonicalized	Yes

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4-Hydroxybenzoic acid sodium salt

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