Methyl 1-Phenylcyclopropanecarboxylate - CAS 6121-42-2
Catalog: |
BB031002 |
Product Name: |
Methyl 1-Phenylcyclopropanecarboxylate |
CAS: |
6121-42-2 |
Synonyms: |
1-phenyl-1-cyclopropanecarboxylic acid methyl ester; methyl 1-phenylcyclopropane-1-carboxylate |
IUPAC Name: | methyl 1-phenylcyclopropane-1-carboxylate |
Description: | Methyl 1-Phenylcyclopropanecarboxylate (CAS# 6121-42-2) is a useful research chemical. |
Molecular Weight: | 176.21 |
Molecular Formula: | C11H12O2 |
Canonical SMILES: | COC(=O)C1(CC1)C2=CC=CC=C2 |
InChI: | InChI=1S/C11H12O2/c1-13-10(12)11(7-8-11)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3 |
InChI Key: | MVHLBUKYYVVZMF-UHFFFAOYSA-N |
MDL: | MFCD12031860 |
LogP: | 1.89120 |
Publication Number | Title | Priority Date |
WO-2020094673-A1 | Reagents and process for direct c-h functionalization | 20181106 |
EP-3856734-A1 | Reagents and process for direct c-h functionalization | 20181106 |
AU-2018211529-A1 | N-{[2-(piperidin-1-yl)phenyl](phenyl)methyl}-2-(3-oxo-3,4-dihydro-2H-1,4-benzoxa zin-7-yl)acetamide derivatives and related compounds as ROR-gamma modulators for treating autoimmune diseases | 20170127 |
CA-3050056-A1 | Rorgamma modulators and uses thereof | 20170127 |
CA-3050187-A1 | N-{[2-(piperidin-1-yl)phenyl](phenyl)methyl}-2-(3-oxo-3,4-dihydro-2h-1,4-benzoxa zin-7-yl)acetamide derivatives and related compounds as ror-gamma modulators for treating autoimmune diseases | 20170127 |
Complexity: | 200 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 176.083729621 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 176.083729621 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 26.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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