4-Isopropoxy-3-methylbenzoic Acid - CAS 856165-81-6
Catalog: |
BB037664 |
Product Name: |
4-Isopropoxy-3-methylbenzoic Acid |
CAS: |
856165-81-6 |
Synonyms: |
3-methyl-4-propan-2-yloxybenzoic acid; 3-methyl-4-propan-2-yloxybenzoic acid |
IUPAC Name: | 3-methyl-4-propan-2-yloxybenzoic acid |
Description: | 4-Isopropoxy-3-methylbenzoic Acid (CAS# 856165-81-6) is a useful research chemical. |
Molecular Weight: | 194.23 |
Molecular Formula: | C11H14O3 |
Canonical SMILES: | CC1=C(C=CC(=C1)C(=O)O)OC(C)C |
InChI: | InChI=1S/C11H14O3/c1-7(2)14-10-5-4-9(11(12)13)6-8(10)3/h4-7H,1-3H3,(H,12,13) |
InChI Key: | LPXNGYUJZLWMPO-UHFFFAOYSA-N |
LogP: | 2.48040 |
Publication Number | Title | Priority Date |
CN-109956912-A | Carboxylic acid compound, preparation method and the medical usage of the oxadiazoles containing diphenyl | 20171226 |
WO-2016164180-A1 | Deuterium-substituted oxadiazoles | 20150406 |
AU-2014287471-A1 | Fused piperidine amides as modulators of ion channels | 20130710 |
AU-2014287471-B2 | Fused piperidine amides as modulators of ion channels | 20130710 |
AU-2014287471-C1 | Fused piperidine amides as modulators of ion channels | 20130710 |
Complexity: | 201 |
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: | 2.6 |
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