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2,3-Xylohydroquinone

CAT: 0572-TRC-X749800-2.5GSize: 2.5 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-X749800-2.5GSize:2.5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
608-43-5
Hazard Statement
Causes skin irritation
Purity
>95% (HPLC)
Smiles
Cc1c(C)c(O)ccc1O
Molecular Formula
C8 H10 O2
Molecular Weight
138.16
InChI
InChI=1S/C8H10O2/c1-5-6(2)8(10)4-3-7(5)9/h3-4,9-10H,1-2H3
Additionnal Information
IUPAC name: 2,3-dimethylbenzene-1,4-diol
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

2,3-Dimethylhydroquinone

structure in first source

CAS Number608-43-5
PubChem CID69100
IUPAC Name2,3-dimethylbenzene-1,4-diol
Molecular FormulaC8H10O2
Molecular Weight138.16
XLogP1.2
Topological Polar Surface Area40.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count10
Formal Charge0
Complexity99
SMILES
CC1=C(C=CC(=C1C)O)O
InChI
InChI=1S/C8H10O2/c1-5-6(2)8(10)4-3-7(5)9/h3-4,9-10H,1-2H3
InChIKey
BXJGUBZTZWCMEX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,3-Dimethylhydroquinone
CAS: 608-43-5
CID: 69100
Formula: C8H10O2
MW: 138.16
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight138.16
XLogP31.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass138.068079557
Monoisotopic Mass138.068079557
Topological Polar Surface Area40.5 Ų
Heavy Atom Count10
Formal Charge0
Complexity99.8
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