585-34-2 | 3-tert-Butylphenol

Packsize	Purity	Availability	Price	Discounted Price
25g	98%	in stock	$8.00	$6.00
100g	98%	in stock	$24.00	$17.00
500g	98%	in stock	$84.00	$59.00
1000g	98%	in stock	$140.00	$98.00

Description

• Catalog Number: AB65571
• Chemical Name: 3-tert-Butylphenol
• CAS Number: 585-34-2
• Molecular Formula: C10H14O
• Molecular Weight: 150.21755999999996
• MDL Number: MFCD00002300
• SMILES: Oc1cccc(c1)C(C)(C)C

Computed Properties

• Complexity: 123
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 11
• Hydrogen Bond Acceptor Count: 1
• Hydrogen Bond Donor Count: 1
• Rotatable Bond Count: 1
• XLogP3: 3.3

Literature

• Prediction of estrogen receptor agonists and characterization of associated molecular descriptors by statistical learning methods.

  Journal of molecular graphics & modelling 20061101

• Data processing and classification analysis of proteomic changes: a case study of oil pollution in the mussel, Mytilus edulis.

  Proteome science 20060101

• Simultaneous measurement of urinary bisphenol A and alkylphenols by automated solid-phase extractive derivatization gas chromatography/mass spectrometry.

  Analytical chemistry 20031215