4-Ethoxy-3-methylbenzoic Acid - CAS 92315-60-1
Catalog: |
BB040480 |
Product Name: |
4-Ethoxy-3-methylbenzoic Acid |
CAS: |
92315-60-1 |
Synonyms: |
4-ethoxy-3-methylbenzoic acid; 4-ethoxy-3-methylbenzoic acid |
IUPAC Name: | 4-ethoxy-3-methylbenzoic acid |
Description: | 4-Ethoxy-3-methylbenzoic Acid (CAS# 92315-60-1) is a useful research chemical. |
Molecular Weight: | 180.20 |
Molecular Formula: | C10H12O3 |
Canonical SMILES: | CCOC1=C(C=C(C=C1)C(=O)O)C |
InChI: | InChI=1S/C10H12O3/c1-3-13-9-5-4-8(10(11)12)6-7(9)2/h4-6H,3H2,1-2H3,(H,11,12) |
InChI Key: | TXBBASAAFCRUQU-UHFFFAOYSA-N |
MDL: | MFCD13920122 |
LogP: | 2.09190 |
Publication Number | Title | Priority Date |
TW-202028175-A | Modulators of hemoglobin | 20181001 |
US-2020055824-A1 | Wdr5-mll1 inhibitors and modulators | 20180816 |
US-10807959-B2 | WDR5-MLL1 inhibitors and modulators | 20180816 |
AU-2012229187-A1 | Morpholine-spirocyclic piperidine amides as modulators of ion channels | 20110314 |
AU-2012229187-B2 | Morpholine-spirocyclic piperidine amides as modulators of ion channels | 20110314 |
Complexity: | 179 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 180.078644241 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 180.078644241 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 46.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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