2-Ethyl-3-methoxybenzoic Acid - CAS 57598-51-3
Catalog: |
BB029757 |
Product Name: |
2-Ethyl-3-methoxybenzoic Acid |
CAS: |
57598-51-3 |
Synonyms: |
2-ethyl-3-methoxybenzoic acid; 2-ethyl-3-methoxybenzoic acid |
IUPAC Name: | 2-ethyl-3-methoxybenzoic acid |
Description: | 2-Ethyl-3-methoxybenzoic Acid (CAS# 57598-51-3) is a useful research chemical. |
Molecular Weight: | 180.20 |
Molecular Formula: | C10H12O3 |
Canonical SMILES: | CCC1=C(C=CC=C1OC)C(=O)O |
InChI: | InChI=1S/C10H12O3/c1-3-7-8(10(11)12)5-4-6-9(7)13-2/h4-6H,3H2,1-2H3,(H,11,12) |
InChI Key: | RXCOEMMGBRUEEG-UHFFFAOYSA-N |
Boiling Point: | 292 °C |
Density: | 1.134 g/cm3 |
Appearance: | Powder |
LogP: | 1.95580 |
Publication Number | Title | Priority Date |
US-2020102303-A1 | Monoacylglycerol Lipase Modulators | 20180928 |
WO-2020065613-A1 | Monoacylglycerol lipase modulators | 20180928 |
TW-202028198-A | Monoacylglycerol lipase modulators | 20180928 |
CN-113164459-A | Monoacylglycerol lipase modulators | 20180928 |
EP-3856178-A1 | Monoacylglycerol lipase modulators | 20180928 |
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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