3-Benzyloxycyclobutanecarboxylic Acid - CAS 4958-02-5
Catalog: |
BB026739 |
Product Name: |
3-Benzyloxycyclobutanecarboxylic Acid |
CAS: |
4958-02-5 |
Synonyms: |
3-phenylmethoxy-1-cyclobutanecarboxylic acid; 3-phenylmethoxycyclobutane-1-carboxylic acid |
IUPAC Name: | 3-phenylmethoxycyclobutane-1-carboxylic acid |
Description: | 3-Benzyloxycyclobutanecarboxylic Acid (CAS# 4958-02-5) is a useful building block for organic synthesis. |
Molecular Weight: | 206.24 |
Molecular Formula: | C12H14O3 |
Canonical SMILES: | C1C(CC1OCC2=CC=CC=C2)C(=O)O |
InChI: | InChI=1S/C12H14O3/c13-12(14)10-6-11(7-10)15-8-9-4-2-1-3-5-9/h1-5,10-11H,6-8H2,(H,13,14) |
InChI Key: | YNNOFVDQHAHVFG-UHFFFAOYSA-N |
Boiling Point: | 352.675 °C at 760 mmHg |
Density: | 1.199 g/cm3 |
Appearance: | Solid |
MDL: | MFCD00512751 |
LogP: | 2.06640 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021050612-A1 | Compositions and methods for the treatment of respiratory syncytial virus | 20190909 |
WO-2021011913-A1 | Tau-protein targeting compounds and associated methods of use | 20190717 |
US-2020354345-A1 | Modulators of thr-beta and methods of use thereof | 20190508 |
US-11091467-B2 | Modulators of THR-β and methods of use thereof | 20190508 |
CN-111606908-A | JAK inhibitor compounds and uses thereof | 20190225 |
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: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 206.094294304 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 46.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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