3-(Methoxycarbonyl)cyclohexanecarboxylic Acid - CAS 25090-39-5
Catalog: |
BB018733 |
Product Name: |
3-(Methoxycarbonyl)cyclohexanecarboxylic Acid |
CAS: |
25090-39-5 |
Synonyms: |
3-methoxycarbonyl-1-cyclohexanecarboxylic acid; 3-methoxycarbonylcyclohexane-1-carboxylic acid |
IUPAC Name: | 3-methoxycarbonylcyclohexane-1-carboxylic acid |
Description: | 3-(Methoxycarbonyl)cyclohexanecarboxylic Acid (CAS# 25090-39-5) is a useful research chemical. |
Molecular Weight: | 186.21 |
Molecular Formula: | C9H14O4 |
Canonical SMILES: | COC(=O)C1CCCC(C1)C(=O)O |
InChI: | InChI=1S/C9H14O4/c1-13-9(12)7-4-2-3-6(5-7)8(10)11/h6-7H,2-5H2,1H3,(H,10,11) |
InChI Key: | PODOUIALODEQFA-UHFFFAOYSA-N |
Boiling Point: | 303.1 °C at 760 mmHg |
Density: | 1.191 g/cm3 |
MDL: | MFCD17170191 |
LogP: | 1.05040 |
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 |
US-2021070761-A1 | Cdk inhibitors and their use as pharmaceuticals | 20190911 |
WO-2021050824-A1 | Cdk inhibitors and their use as pharmaceuticals | 20190911 |
WO-2020061112-A1 | Farnesoid x receptor agonists and uses thereof | 20180918 |
CN-113056264-A | Farnesoin X receptor agonists and uses thereof | 20180918 |
EP-3852737-A1 | Farnesoid x receptor agonists and uses thereof | 20180918 |
Complexity: | 212 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 186.08920892 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 186.08920892 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 63.6 Å2 |
Undefined Atom Stereocenter Count: | 2 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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