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4-Ethylcatechol

CAT: 0127-OR925237-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-OR925237-01Size:250 mg
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CAS Number
1124-39-6
Synonyms
4-Ethylbenzene-1,2-diol
MDL Number
MFCD00015847
Purity
98%
Smiles
CCc1ccc(O)c(O)c1

Chemical Information

4-Ethyl-1,2-benzenediol

4-Ethyl-1,2-benzenediol is a member of catechols.

CAS Number1124-39-6
PubChem CID70761
IUPAC Name4-ethylbenzene-1,2-diol
Molecular FormulaC8H10O2
Molecular Weight138.16
XLogP0.5
Topological Polar Surface Area40.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count10
Formal Charge0
Complexity103
SMILES
CCC1=CC(=C(C=C1)O)O
InChI
InChI=1S/C8H10O2/c1-2-6-3-4-7(9)8(10)5-6/h3-5,9-10H,2H2,1H3
InChIKey
HFLGBNBLMBSXEM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Ethyl-1,2-benzenediol
CAS: 1124-39-6
CID: 70761
Formula: C8H10O2
MW: 138.16
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight138.16
XLogP30.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass138.068079557
Monoisotopic Mass138.068079557
Topological Polar Surface Area40.5 Ų
Heavy Atom Count10
Formal Charge0
Complexity103
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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