2-(4-Phenylcyclohexyl)acetic Acid - CAS 108062-27-7
Catalog: |
BB002163 |
Product Name: |
2-(4-Phenylcyclohexyl)acetic Acid |
CAS: |
108062-27-7 |
Synonyms: |
2-(4-phenylcyclohexyl)acetic acid; 2-(4-phenylcyclohexyl)acetic acid |
IUPAC Name: | 2-(4-phenylcyclohexyl)acetic acid |
Description: | 2-(4-Phenylcyclohexyl)acetic Acid (CAS# 108062-27-7) is a useful research chemical. |
Molecular Weight: | 218.29 |
Molecular Formula: | C14H18O2 |
Canonical SMILES: | C1CC(CCC1CC(=O)O)C2=CC=CC=C2 |
InChI: | InChI=1S/C14H18O2/c15-14(16)10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h1-5,11,13H,6-10H2,(H,15,16) |
InChI Key: | PBYZBGVGPMEGRS-UHFFFAOYSA-N |
LogP: | 3.43510 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CA-2964276-A1 | Immunoregulatory agents | 20141105 |
EP-3215141-A2 | Immunoregulatory agents | 20141105 |
JP-2017538678-A | Immunomodulator | 20141105 |
US-2019092729-A1 | Immunoregulatory agents | 20141105 |
WO-2016073738-A2 | Immunoregulatory agents | 20141105 |
Complexity: | 223 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 218.130679813 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 218.130679813 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.7 |
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