4-Oxo-1-(o-tolyl)cyclohexanecarboxylic acid - CAS 1385694-73-4
Catalog: |
BB008808 |
Product Name: |
4-Oxo-1-(o-tolyl)cyclohexanecarboxylic acid |
CAS: |
1385694-73-4 |
Synonyms: |
1-(2-methylphenyl)-4-oxo-1-cyclohexanecarboxylic acid; 1-(2-methylphenyl)-4-oxocyclohexane-1-carboxylic acid |
IUPAC Name: | 1-(2-methylphenyl)-4-oxocyclohexane-1-carboxylic acid |
Description: | 4-Oxo-1-(o-tolyl)cyclohexanecarboxylic acid (CAS# 1385694-73-4 ) is a useful research chemical. |
Molecular Weight: | 232.28 |
Molecular Formula: | C14H16O3 |
Canonical SMILES: | CC1=CC=CC=C1C2(CCC(=O)CC2)C(=O)O |
InChI: | InChI=1S/C14H16O3/c1-10-4-2-3-5-12(10)14(13(16)17)8-6-11(15)7-9-14/h2-5H,6-9H2,1H3,(H,16,17) |
InChI Key: | CVDLCBGRWYUNAK-UHFFFAOYSA-N |
LogP: | 2.46050 |
Publication Number | Title | Priority Date |
CA-1093553-A | Novel 4-amino-4-arylcyclohexanones and their ketals | 19760603 |
CA-1100516-A | 4-amino-4-arylcyclohexanones and their ketals | 19760603 |
CH-641177-A5 | Method for producing new 4-amino-4-arylcyclohexanone compounds. | 19760603 |
GB-1561206-A | 4-isocyanato 4- arylcyclohexanone ketals | 19760603 |
US-4065573-A | 4-Amino-4-phenylcyclohexanone ketal compositions and process of use | 19760603 |
Complexity: | 311 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 232.109944368 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 232.109944368 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 54.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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