trans-4-(Hydroxymethyl)cyclohexanecarboxylic Acid - CAS 66185-74-8
Catalog: |
BB032929 |
Product Name: |
trans-4-(Hydroxymethyl)cyclohexanecarboxylic Acid |
CAS: |
66185-74-8 |
Synonyms: |
4-(hydroxymethyl)-1-cyclohexanecarboxylic acid; 4-(hydroxymethyl)cyclohexane-1-carboxylic acid |
IUPAC Name: | 4-(hydroxymethyl)cyclohexane-1-carboxylic acid |
Description: | trans-4-(Hydroxymethyl)cyclohexanecarboxylic Acid (CAS# 66185-74-8 ) is a useful research chemical. |
Molecular Weight: | 158.19 |
Molecular Formula: | C8H14O3 |
Canonical SMILES: | C1CC(CCC1CO)C(=O)O |
InChI: | InChI=1S/C8H14O3/c9-5-6-1-3-7(4-2-6)8(10)11/h6-7,9H,1-5H2,(H,10,11) |
InChI Key: | VQMIUUBKKPIDBN-UHFFFAOYSA-N |
Solubility: | Other solvents(Soluble) : Methanol |
Appearance: | Solid crystal powder |
LogP: | 0.86970 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-111217834-A | Nitroxide derivatives of ROCK kinase inhibitors | 20200221 |
AU-2020403705-A1 | Nitroxide derivative of rock kinase inhibitor | 20200221 |
EP-3901156-A1 | Nitrooxyderivative of rock kinase inhibitor | 20200221 |
WO-2021164351-A1 | Nitrooxyderivative of rock kinase inhibitor | 20200221 |
WO-2021107047-A1 | Method for producing 4-(aminomethyl)cyclohexane carboxylic acid | 20191129 |
Complexity: | 136 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 158.094294304 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 158.094294304 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 57.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.5 |
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