3-tert-Butoxybenzoic Acid - CAS 15360-02-8
Catalog: |
BB010918 |
Product Name: |
3-tert-Butoxybenzoic Acid |
CAS: |
15360-02-8 |
Synonyms: |
3-[(2-methylpropan-2-yl)oxy]benzoic acid; 3-[(2-methylpropan-2-yl)oxy]benzoic acid |
IUPAC Name: | 3-[(2-methylpropan-2-yl)oxy]benzoic acid |
Description: | 3-tert-Butoxybenzoic Acid (CAS# 15360-02-8) is an organic building block used for the preparation of orally efficacious benzothiazole amides as TRPV1 antagonists. |
Molecular Weight: | 194.23 |
Molecular Formula: | C11H14O3 |
Canonical SMILES: | CC(C)(C)OC1=CC=CC(=C1)C(=O)O |
InChI: | InChI=1S/C11H14O3/c1-11(2,3)14-9-6-4-5-8(7-9)10(12)13/h4-7H,1-3H3,(H,12,13) |
InChI Key: | IURSJORDCNZJFE-UHFFFAOYSA-N |
MDL: | MFCD03412397 |
LogP: | 2.56210 |
Publication Number | Title | Priority Date |
US-11000491-B2 | Amino-aryl-benzamide compounds and methods of use thereof | 20170505 |
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KR-20150056727-A | Cleaner Composition and method of manufacturing metal line using the same | 20131115 |
US-2015136728-A1 | Cleaning composition and method of manufacturing metal wiring using the same | 20131115 |
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Complexity: | 205 |
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: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 194.094294304 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 46.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3 |
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