4-Phenylcyclohexanecarboxylic Acid - CAS 7494-76-0
Catalog: |
BB035196 |
Product Name: |
4-Phenylcyclohexanecarboxylic Acid |
CAS: |
7494-76-0 |
Synonyms: |
4-phenyl-1-cyclohexanecarboxylic acid; 4-phenylcyclohexane-1-carboxylic acid |
IUPAC Name: | 4-phenylcyclohexane-1-carboxylic acid |
Description: | 4-Phenylcyclohexanecarboxylic Acid (CAS# 7494-76-0) is a useful research chemical. |
Molecular Weight: | 204.26 |
Molecular Formula: | C13H16O2 |
Canonical SMILES: | C1CC(CCC1C2=CC=CC=C2)C(=O)O |
InChI: | InChI=1S/C13H16O2/c14-13(15)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-5,11-12H,6-9H2,(H,14,15) |
InChI Key: | SYYSTPDYCASVSQ-UHFFFAOYSA-N |
Boiling Point: | 360 °C at 760 mmHg |
Density: | 1.116 g/cm3 |
Appearance: | Solid |
MDL: | MFCD00452664 |
LogP: | 3.04500 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2020069330-A2 | Inhibitors of vap-1 | 20180928 |
CN-113164454-A | Inhibitors of VAP-1 | 20180928 |
EP-3856176-A2 | Inhibitors of vap-1 | 20180928 |
US-2020057369-A1 | Salt, acid generator, resist composition and method for producing resist pattern | 20180817 |
US-2019100710-A1 | Ester Compounds, Lubricating Oil Compositions Containing Same and Processes for Making Same | 20170929 |
Complexity: | 211 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 204.115029749 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 204.115029749 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.1 |
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