4-Methoxy-2,5-dimethylbenzoic Acid - CAS 58106-26-6
Catalog: |
BB029934 |
Product Name: |
4-Methoxy-2,5-dimethylbenzoic Acid |
CAS: |
58106-26-6 |
Synonyms: |
4-methoxy-2,5-dimethylbenzoic acid; 4-methoxy-2,5-dimethylbenzoic acid |
IUPAC Name: | 4-methoxy-2,5-dimethylbenzoic acid |
Description: | 4-Methoxy-2,5-dimethylbenzoic Acid (CAS# 58106-26-6) is a useful research chemical. |
Molecular Weight: | 180.20 |
Molecular Formula: | C10H12O3 |
Canonical SMILES: | CC1=CC(=C(C=C1C(=O)O)C)OC |
InChI: | InChI=1S/C10H12O3/c1-6-5-9(13-3)7(2)4-8(6)10(11)12/h4-5H,1-3H3,(H,11,12) |
InChI Key: | WXUIXMXEFZKIBM-UHFFFAOYSA-N |
MDL: | MFCD01194285 |
LogP: | 2.01020 |
Publication Number | Title | Priority Date |
EP-2471792-A1 | 3-(biaryloxy) propionic acid derivative | 20090828 |
EP-2471792-B1 | 3-(biaryloxy) propionic acid derivative | 20090828 |
ES-2470329-T3 | 3- (baryloxy) priopinic acid derivative | 20090828 |
JP-5597202-B2 | 3- (biaryloxy) propionic acid derivatives | 20090828 |
JP-WO2011024933-A1 | 3- (biaryloxy) propionic acid derivatives | 20090828 |
Complexity: | 191 |
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: | 2 |
Topological Polar Surface Area: | 46.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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