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Trimethylphloroglucinol

CAT: 0572-TRC-T796600-50MGSize: 50 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-T796600-50MGSize:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
4463-03-0
Synonyms
2,4,6-trimethylbenzene-1,3,5-triol; 2,4,6-Trimethyl-1,3,5-benzenetriol;
Hazard Statement
Causes skin irritation.
Purity
>95% (HPLC)
Smiles
Cc1c(O)c(C)c(O)c(C)c1O
Molecular Formula
C9 H12 O3
Molecular Weight
168.19
InChI
InChI=1S/C9H12O3/c1-4-7(10)5(2)9(12)6(3)8(4)11/h10-12H,1-3H3
Additionnal Information
IUPAC name: 2,4,6-trimethylbenzene-1,3,5-triol
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Trimethylphloroglucinol
CAS Number4463-03-0
PubChem CID193390
IUPAC Name2,4,6-trimethylbenzene-1,3,5-triol
Molecular FormulaC9H12O3
Molecular Weight168.19
XLogP1.9
Topological Polar Surface Area60.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count12
Formal Charge0
Complexity113
SMILES
CC1=C(C(=C(C(=C1O)C)O)C)O
InChI
InChI=1S/C9H12O3/c1-4-7(10)5(2)9(12)6(3)8(4)11/h10-12H,1-3H3
InChIKey
MNBSXKSWDLYJHN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Trimethylphloroglucinol
CAS: 4463-03-0
CID: 193390
Formula: C9H12O3
MW: 168.19
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight168.19
XLogP31.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass168.078644241
Monoisotopic Mass168.078644241
Topological Polar Surface Area60.7 Ų
Heavy Atom Count12
Formal Charge0
Complexity113
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
022460-01Trimethylphloroglucinol
AR-P01804-01Trimethylphloroglucinol-d9
290435-01Trimethylphloroglucinol discontinued. See 022460

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