1-(3,4-Dimethoxyphenyl)-4-oxocyclohexanecarboxylic Acid - CAS 887978-64-5
Catalog: |
BB039242 |
Product Name: |
1-(3,4-Dimethoxyphenyl)-4-oxocyclohexanecarboxylic Acid |
CAS: |
887978-64-5 |
Synonyms: |
1-(3,4-dimethoxyphenyl)-4-oxo-1-cyclohexanecarboxylic acid; 1-(3,4-dimethoxyphenyl)-4-oxocyclohexane-1-carboxylic acid |
IUPAC Name: | 1-(3,4-dimethoxyphenyl)-4-oxocyclohexane-1-carboxylic acid |
Description: | 1-(3,4-Dimethoxyphenyl)-4-oxocyclohexanecarboxylic Acid (CAS# 887978-64-5 ) is a useful research chemical. |
Molecular Weight: | 278.30 |
Molecular Formula: | C15H18O5 |
Canonical SMILES: | COC1=C(C=C(C=C1)C2(CCC(=O)CC2)C(=O)O)OC |
InChI: | InChI=1S/C15H18O5/c1-19-12-4-3-10(9-13(12)20-2)15(14(17)18)7-5-11(16)6-8-15/h3-4,9H,5-8H2,1-2H3,(H,17,18) |
InChI Key: | YLJKQDCUVKTPEE-UHFFFAOYSA-N |
LogP: | 2.16930 |
Publication Number | Title | Priority Date |
CA-1093553-A | Novel 4-amino-4-arylcyclohexanones and their ketals | 19760603 |
CA-1105938-A | 4-amino-4-arylcyclohexanone 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: | 369 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 278.11542367 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 278.11542367 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 72.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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