5-tert-Butyl-2-hydroxybenzoic Acid - CAS 16094-31-8
Catalog: |
BB011685 |
Product Name: |
5-tert-Butyl-2-hydroxybenzoic Acid |
CAS: |
16094-31-8 |
Synonyms: |
5-tert-butyl-2-hydroxybenzoic acid; 5-tert-butyl-2-hydroxybenzoic acid |
IUPAC Name: | 5-tert-butyl-2-hydroxybenzoic acid |
Description: | 5-tert-Butyl-2-hydroxybenzoic Acid (CAS# 16094-31-8) is a useful intermediate for the synthesis of salicylic acids and related derivatives. |
Molecular Weight: | 194.23 |
Molecular Formula: | C11H14O3 |
Canonical SMILES: | CC(C)(C)C1=CC(=C(C=C1)O)C(=O)O |
InChI: | InChI=1S/C11H14O3/c1-11(2,3)7-4-5-9(12)8(6-7)10(13)14/h4-6,12H,1-3H3,(H,13,14) |
InChI Key: | XAICWTLLSRXZPB-UHFFFAOYSA-N |
Boiling Point: | 324.4 °C at 760 mmHg |
Density: | 1.162 g/cm3 |
MDL: | MFCD00156971 |
LogP: | 2.38790 |
Publication Number | Title | Priority Date |
CN-110862318-A | Preparation method of tert-butyl substituted hydroxybenzoate | 20191024 |
WO-2021021951-A1 | Wdr5-myc inhibitors | 20190729 |
EP-3674800-A1 | Toner and method for producing toner | 20181228 |
JP-2020041033-A | Polyvinyl chloride resin composition | 20180910 |
US-2019241758-A1 | Ultraviolet Light Stable Color-Changing Systems | 20180205 |
PMID | Publication Date | Title | Journal |
15801837 | 20050407 | Predicting human serum albumin affinity of interleukin-8 (CXCL8) inhibitors by 3D-QSPR approach | Journal of medicinal chemistry |
Complexity: | 217 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 194.094294304 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 194.094294304 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 57.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.1 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Carbonyl Compounds
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS