2-(1-Methylcyclohexyl)acetic Acid - CAS 14352-58-0
Catalog: |
BB009616 |
Product Name: |
2-(1-Methylcyclohexyl)acetic Acid |
CAS: |
14352-58-0 |
Synonyms: |
2-(1-methylcyclohexyl)acetic acid; 2-(1-methylcyclohexyl)acetic acid |
IUPAC Name: | 2-(1-methylcyclohexyl)acetic acid |
Description: | 2-(1-Methylcyclohexyl)acetic Acid can be used as a IRE1 modulators to treat IRE1-related diseases. |
Molecular Weight: | 156.22 |
Molecular Formula: | C9H16O2 |
Canonical SMILES: | CC1(CCCCC1)CC(=O)O |
InChI: | InChI=1S/C9H16O2/c1-9(7-8(10)11)5-3-2-4-6-9/h2-7H2,1H3,(H,10,11) |
InChI Key: | LTBPRPATSZONGJ-UHFFFAOYSA-N |
Boiling Point: | 72 °C (0.04 mmHg) |
LogP: | 2.43150 |
GHS Hazard Statement: | H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021111935-A1 | Fragrance composition | 20191202 |
WO-2019051396-A1 | SMALL MOLECULE INHIBITORS OF EBOLA VIRUSES AND LASSA FEVER, AND METHODS OF USE THEREOF | 20170908 |
US-2021163454-A1 | Small molecule inhibitors of ebola and lassa fever viruses and methods of use | 20170908 |
AU-2018233402-A1 | Pyrimidinyl-pyridyloxy-naphthyl compounds and methods of treating ire1-related diseases and disorders | 20170317 |
CA-3056833-A1 | Pyrimidinyl-pyridyloxy-naphthyl compounds and methods of treating ire1-related diseases and disorders | 20170317 |
Complexity: | 146 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 156.115029749 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 156.115029749 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 37.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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