4-Cyclopropyloxybenzoic Acid Ethyl Ester - CAS 62577-91-7
Catalog: |
BB068943 |
Product Name: |
4-Cyclopropyloxybenzoic Acid Ethyl Ester |
CAS: |
62577-91-7 |
Synonyms: |
4-(Cyclopropyloxy)-benzoic Acid Ethyl Ester; Ethyl 4-cyclopropyloxybenzoate |
IUPAC Name: | ethyl 4-cyclopropyloxybenzoate |
Description: | 4-Cyclopropyloxybenzoic Acid Ethyl Ester is an intermediate in the synthesis of 4-Cyclopropyloxybenzoic Acid (C989485). 4-Cyclopropyloxybenzoic Acid is used in the preparation of imidazobenzazepine derivatives as DGAT-1 inhibitors which is useful in the treatment of diabetes and obesity. |
Molecular Weight: | 206.24 |
Molecular Formula: | C12H14O3 |
Canonical SMILES: | CCOC(=O)C1=CC=C(C=C1)OC2CC2 |
InChI: | InChI=1S/C12H14O3/c1-2-14-12(13)9-3-5-10(6-4-9)15-11-7-8-11/h3-6,11H,2,7-8H2,1H3 |
InChI Key: | XMJJFWHFJIKHQD-UHFFFAOYSA-N |
References: | Arnold, M.B., et al. PCT Int. Appl., 2011:753043 (2011). |
Complexity: | 215 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 206.094294304 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 206.094294304 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 35.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.4 |
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