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Ammonium Benzoate Extra Pure

CAT: 1442-1011550 500Size: 500 mgDry Ice: NoHazardous: No
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CAT#:1442-1011550 500Size:500 mg
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CAS Number
1863-63-4
Molecular Formula
C7H9NO2
Molecular Weight
139.15
Hazardous Class
*
HSN Code
29163190

Chemical Information

Ammonium Benzoate

Ammonium benzoate appears as a white crystalline solid. Soluble in water. The primary hazard is the threat to the environment. Immediate steps should be taken to limit spread to the environment. Used in medicine and as a food preservative.

CAS Number1863-63-4
PubChem CID15830
IUPAC Nameazanium benzoate
Molecular FormulaC7H9NO2
Molecular Weight139.15
Topological Polar Surface Area41.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count10
Formal Charge0
Complexity98
SMILES
C1=CC=C(C=C1)C(=O)[O-].[NH4+]
InChI
InChI=1S/C7H6O2.H3N/c8-7(9)6-4-2-1-3-5-6;/h1-5H,(H,8,9);1H3
InChIKey
VWSRWGFGAAKTQG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ammonium Benzoate
CAS: 1863-63-4
CID: 15830
Formula: C7H9NO2
MW: 139.15
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight139.15
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass139.063328530
Monoisotopic Mass139.063328530
Topological Polar Surface Area41.1 Ų
Heavy Atom Count10
Formal Charge0
Complexity98
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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