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Sodium Mandelate

CAT: 0286-S06000-02Size: 100 gDry Ice: NoHazardous: No
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CAT#:0286-S06000-02Size:100 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
114-21-6
Pictogram
07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00051122
Hazard Statement
H302 Harmful if swallowed; H312 Harmful in contact with skin; H315 Causes skin irritation; H320 Causes eye irritation; H332 Harmful if inhaled; H335 May cause respiratory irritation.
DOT Name
Not D.O.T.-Regulated
Precautions
P261 Avoid breathing dust/fume/gas/mist/vapors/spray; P280 Wear protective gloves/protective clothing/eye protection/face protection; P301+P312 IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell; P302+P352 IF ON SKIN: wash with plenty of soap and water; P304+P340 IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing; P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing; P332+P313 IF SKIN irritation occurs: Get medical advice/attention.

Chemical Information

Sodium mandelate

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CAS Number114-21-6
PubChem CID23675514
IUPAC Namesodium 2-hydroxy-2-phenylacetate
Molecular FormulaC8H7NaO3
Molecular Weight174.13
Topological Polar Surface Area60.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count12
Formal Charge0
Complexity143
SMILES
C1=CC=C(C=C1)C(C(=O)[O-])O.[Na+]
InChI
InChI=1S/C8H8O3.Na/c9-7(8(10)11)6-4-2-1-3-5-6;/h1-5,7,9H,(H,10,11);/q;+1/p-1
InChIKey
FWDLHTBMGQEUDU-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of Sodium mandelate
CAS: 114-21-6
CID: 23675514
Formula: C8H7NaO3
MW: 174.13
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight174.13
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass174.02928836
Monoisotopic Mass174.02928836
Topological Polar Surface Area60.4 Ų
Heavy Atom Count12
Formal Charge0
Complexity143
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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