EKZ

4-tert-butylbenzene-1,2-diol

Created:	2013-05-21
Last modified:	2024-09-27

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Chemical Details
Formal Charge	0
Atom Count	26
Chiral Atom Count	0
Bond Count	26
Aromatic Bond Count	6

2D diagram of EKZ

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Chemical Component Summary
Name	4-tert-butylbenzene-1,2-diol
Synonyms	4-tert-Butylcatechol (CAS 98-29-3)
Systematic Name (OpenEye OEToolkits)	4-tert-butylbenzene-1,2-diol
Formula	C₁₀ H₁₄ O₂
Molecular Weight	166.217
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Oc1ccc(cc1O)C(C)(C)C
SMILES	CACTVS	3.370	CC(C)(C)c1ccc(O)c(O)c1
SMILES	OpenEye OEToolkits	1.7.6	CC(C)(C)c1ccc(c(c1)O)O
Canonical SMILES	CACTVS	3.370	CC(C)(C)c1ccc(O)c(O)c1
Canonical SMILES	OpenEye OEToolkits	1.7.6	CC(C)(C)c1ccc(c(c1)O)O
InChI	InChI	1.03	InChI=1S/C10H14O2/c1-10(2,3)7-4-5-8(11)9(12)6-7/h4-6,11-12H,1-3H3
InChIKey	InChI	1.03	XESZUVZBAMCAEJ-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	7381
ChEMBL	CHEMBL220845

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