4-[2-(Methoxycarbonyl)cyclopropyl]benzoic Acid - CAS 1057107-39-7
Catalog: |
BB001694 |
Product Name: |
4-[2-(Methoxycarbonyl)cyclopropyl]benzoic Acid |
CAS: |
1057107-39-7 |
Synonyms: |
4-(2-methoxycarbonylcyclopropyl)benzoic acid; 4-(2-methoxycarbonylcyclopropyl)benzoic acid |
IUPAC Name: | 4-(2-methoxycarbonylcyclopropyl)benzoic acid |
Description: | 4-(2-(Methoxycarbonyl)cyclopropyl)benzoic Acid was used in the preparation of 6-acylaminoisoquinolines as kinase inhibitors. |
Molecular Weight: | 220.22 |
Molecular Formula: | C12H12O4 |
Canonical SMILES: | COC(=O)C1CC1C2=CC=C(C=C2)C(=O)O |
InChI: | InChI=1S/C12H12O4/c1-16-12(15)10-6-9(10)7-2-4-8(5-3-7)11(13)14/h2-5,9-10H,6H2,1H3,(H,13,14) |
InChI Key: | CNRLZWCRQCKPSD-UHFFFAOYSA-N |
Appearance: | Solid |
LogP: | 1.66130 |
Publication Number | Title | Priority Date |
AU-2018243687-A1 | Aryl cyclopropyl-amino-isoquinolinyl amide compounds | 20170331 |
CA-3057872-A1 | Aryl cyclopropyl-amino-isoquinolinyl amide compounds | 20170331 |
CN-110506037-A | Aryl cyclopropyl-amino-isoquinolin amide compound | 20170331 |
EP-3609871-A1 | Aryl cyclopropyl-amino-isoquinolinyl amide compounds | 20170331 |
JP-2020515583-A | Aryl cyclopropyl-amino-isoquinolinyl amide compound | 20170331 |
Complexity: | 291 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 220.07355886 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 220.07355886 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 63.6 |
Undefined Atom Stereocenter Count: | 2 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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