3-(methoxymethyl)benzoic acid - CAS 32194-76-6
Catalog: |
BB021223 |
Product Name: |
3-(methoxymethyl)benzoic acid |
CAS: |
32194-76-6 |
Synonyms: |
3-(methoxymethyl)benzoic acid; 3-(methoxymethyl)benzoic acid |
IUPAC Name: | 3-(methoxymethyl)benzoic acid |
Description: | 3-(methoxymethyl)benzoic acid (CAS# 32194-76-6) is a useful research chemical. |
Molecular Weight: | 166.17 |
Molecular Formula: | C9H10O3 |
Canonical SMILES: | COCC1=CC=CC(=C1)C(=O)O |
InChI: | InChI=1S/C9H10O3/c1-12-6-7-3-2-4-8(5-7)9(10)11/h2-5H,6H2,1H3,(H,10,11) |
InChI Key: | ZPBMOTGPFVLBMN-UHFFFAOYSA-N |
Boiling Point: | 289.9 ℃ at 760 mmHg |
Density: | 1.177 g/cm3 |
Appearance: | Powder |
MDL: | MFCD01871355 |
LogP: | 1.53120 |
Publication Number | Title | Priority Date |
KR-20170038877-A | Compounds active towards bromodomains | 20140801 |
US-10005785-B2 | Substituted 6,7-dihydropyrazolo[1,5-a] pyrazines as negative allosteric modulators of mGlUR2 receptors | 20140801 |
US-10519162-B2 | 6,7-dihydropyrazolo[1,5-α]pyrazin-4(5H)-one compounds and their use as negative allosteric modulators of mGluR2 receptors | 20140801 |
US-2017217971-A1 | 6,7-DIHYDROPYRAZOLO[1,5-a]PYRAZIN-4(5H)-ONE COMPOUNDS AND THEIR USE AS NEGATIVE ALLOSTERIC MODULATORS OF MGLUR2 RECEPTORS | 20140801 |
US-2018258096-A1 | 6,7-DIHYDROPYRAZOLO[1,5-a]PYRAZIN-4(5H)-ONE COMPOUNDS AND THEIR USE AS NEGATIVE ALLOSTERIC MODULATORS OF MGLUR2 RECEPTORS | 20140801 |
Complexity: | 156 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 166.062994177 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 166.062994177 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 46.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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