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rac Guaifenesin

CAT: 0572-TRC-G810500-25GSize: 25 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-G810500-25GSize:25 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
93-14-1
Synonyms
1,2-Dihydroxy-3-(2-methoxyphenoxy)propane; 2-G; 3-(2-Methoxyphenoxy)-1,2-propanediol; 3-(o-Methoxyphenoxy)-1,2-propanediol; Actifed C; Aeronesin; Amonidren; Aresol; Calmipan; Colrex Expectorant; Creson; Dilyn; Equicol; Glycerin guaiacolate; Glycerol guaiacolate; Glyceryl guaiacol ether; Glyceryl guaiacolate; Glyceryl guaiacolate ether; Glyceryl guaiacyl ether; Glycerylguaiacol; Glycodex; Glycotuss; Guaiacol glycerin ether; Guaiacol glycerol ether; Guaiacol glyceryl ether; Guaiacuran; Guaiacurane; Guaiacyl glyceryl ether; Guaiamar; Guaianesin; Guaifenesin; Guaifenesine; Guaiphenesin; Guaiphenesine; Guajacuran; Guanar; Guayanesin; Hustosil; Hytuss; Methoxypropanediol; Methphenoxydiol; Miocurin; Mucinex; Muskurelax; My 301; Myocain; Myocaine; Myoscain; NSC 62112; Neuroton; Neurotone; Oresol; Oreson; Organidin NR; Relaxil G; Reorganin; Respenyl; Resyl; Ritussin; Robitussin; SL 90; Sirotol; Tenntus; Tenntuss; Trecid; Tulyn; XL 90; o-Methoxyphenyl glyceryl ether; racemic-Guaifenesin; 1,2-Propanediol, 3-(o-methoxyphenoxy)- (6CI,8CI); Giafen; Glycerol alpha-(2-methoxyphenyl) ether; Glycerol alpha-(o-methoxyphenyl)ether; Glycerol alpha-guaiacyl ether; alpha-Glyceryl guaiacol ether; alpha-Glyceryl guaiacolate ether
Hazard Statement
Harmful if swallowed
Purity
>95% (HPLC)
Smiles
COc1ccccc1OCC(O)CO
Molecular Formula
C10 H14 O4
Molecular Weight
198.22
InChI
InChI=1S/C10H14O4/c1-13-9-4-2-3-5-10(9)14-7-8(12)6-11/h2-5,8,11-12H,6-7H2,1H3
Additionnal Information
IUPAC name: 3-(2-methoxyphenoxy)propane-1,2-diol
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Guaifenesin

Guaifenesin is a member of methoxybenzenes.

CAS Number93-14-1
PubChem CID3516
IUPAC Name3-(2-methoxyphenoxy)propane-1,2-diol
Molecular FormulaC10H14O4
Molecular Weight198.22
XLogP1.4
Topological Polar Surface Area58.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count14
Formal Charge0
Complexity151
SMILES
COC1=CC=CC=C1OCC(CO)O
InChI
InChI=1S/C10H14O4/c1-13-9-4-2-3-5-10(9)14-7-8(12)6-11/h2-5,8,11-12H,6-7H2,1H3
InChIKey
HSRJKNPTNIJEKV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Guaifenesin
CAS: 93-14-1
CID: 3516
Formula: C10H14O4
MW: 198.22
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight198.22
XLogP31.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass198.08920892
Monoisotopic Mass198.08920892
Topological Polar Surface Area58.9 Ų
Heavy Atom Count14
Formal Charge0
Complexity151
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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