4,4-Dimethylcyclohexanecarboxylic Acid - CAS 25186-27-0
Catalog: |
BB018787 |
Product Name: |
4,4-Dimethylcyclohexanecarboxylic Acid |
CAS: |
25186-27-0 |
Synonyms: |
4,4-dimethyl-1-cyclohexanecarboxylic acid; 4,4-dimethylcyclohexane-1-carboxylic acid |
IUPAC Name: | 4,4-dimethylcyclohexane-1-carboxylic acid |
Description: | 4,4-Dimethylcyclohexanecarboxylic Acid (CAS# 25186-27-0) is a useful research chemical. |
Molecular Weight: | 156.22 |
Molecular Formula: | C9H16O2 |
Canonical SMILES: | CC1(CCC(CC1)C(=O)O)C |
InChI: | InChI=1S/C9H16O2/c1-9(2)5-3-7(4-6-9)8(10)11/h7H,3-6H2,1-2H3,(H,10,11) |
InChI Key: | KFFJRQIEECCAQS-UHFFFAOYSA-N |
LogP: | 2.28740 |
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, P310, P312, P321, P332+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-109575083-A | The luminous organic material of the assistant ligand containing naphthenic base | 20170929 |
US-2019103574-A1 | Organic luminescent materials containing cycloalkyl ancillary ligands | 20170929 |
US-10957869-B2 | Organic luminescent materials containing cycloalkyl ancillary ligands | 20170929 |
WO-2018066718-A1 | Therapeutic compounds | 20161004 |
EP-3386939-A1 | Compounds | 20151209 |
Complexity: | 151 |
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: | 1 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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