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4-Methylpyrogallol

CAT: 1596-AR-M05402-01Size: 50 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-M05402-01Size:50 Units
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
3955-29-1
Synonyms
1,2,3-Benzenetriol, 4-methyl-; 4-Methyl-1,2,3-benzenetriol
Molecular Formula
C7H8O3
Molecular Weight
140.14
API Name
Miscellaneous

Chemical Information

4-Methylbenzene-1,2,3-triol
CAS Number3955-29-1
PubChem CID156015
IUPAC Name4-methylbenzene-1,2,3-triol
Molecular FormulaC7H8O3
Molecular Weight140.14
XLogP1.2
Topological Polar Surface Area60.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count10
Formal Charge0
Complexity115
SMILES
CC1=C(C(=C(C=C1)O)O)O
InChI
InChI=1S/C7H8O3/c1-4-2-3-5(8)7(10)6(4)9/h2-3,8-10H,1H3
InChIKey
PHZREHARUPHHCU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Methylbenzene-1,2,3-triol
CAS: 3955-29-1
CID: 156015
Formula: C7H8O3
MW: 140.14
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight140.14
XLogP31.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass140.047344113
Monoisotopic Mass140.047344113
Topological Polar Surface Area60.7 Ų
Heavy Atom Count10
Formal Charge0
Complexity115
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

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