Dimethyl 4-(3-Chlorophenyl)-4-cyanoheptanedioate - CAS 65619-21-8
Catalog: |
BB032777 |
Product Name: |
Dimethyl 4-(3-Chlorophenyl)-4-cyanoheptanedioate |
CAS: |
65619-21-8 |
Synonyms: |
4-(3-chlorophenyl)-4-cyanoheptanedioic acid dimethyl ester; dimethyl 4-(3-chlorophenyl)-4-cyanoheptanedioate |
IUPAC Name: | dimethyl 4-(3-chlorophenyl)-4-cyanoheptanedioate |
Description: | Dimethyl 4-(3-Chlorophenyl)-4-cyanoheptanedioate (CAS# 65619-21-8 ) is a useful research chemical. |
Molecular Weight: | 323.77 |
Molecular Formula: | C16H18ClNO4 |
Canonical SMILES: | COC(=O)CCC(CCC(=O)OC)(C#N)C1=CC(=CC=C1)Cl |
InChI: | InChI=1S/C16H18ClNO4/c1-21-14(19)6-8-16(11-18,9-7-15(20)22-2)12-4-3-5-13(17)10-12/h3-5,10H,6-9H2,1-2H3 |
InChI Key: | NALQEAVLMLLZJN-UHFFFAOYSA-N |
LogP: | 3.00778 |
Publication Number | Title | Priority Date |
AU-2007338365-A1 | 1-Aminomethyl- l- phenyl- cyclohexane derivatives as DDP-IV inhibitors | 20061222 |
CA-2673375-A1 | 1-aminomethyl-l-phenyl-cyclohexane derivatives as ddp-iv inhibitors | 20061222 |
EP-2124913-A1 | 1-aminomethyl- l- phenyl- cyclohexane derivatives as ddp-iv inhibitors | 20061222 |
JP-2010513357-A | 1-aminomethyl-1-phenyl-cyclohexane derivatives as DPP-IV inhibitors | 20061222 |
KR-20090096636-A | 1-aminomethyl-L-phenyl-cyclohexane derivative as a DVD-IV inhibitor | 20061222 |
Complexity: | 423 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 323.0924357 |
Formal Charge: | 0 |
Heavy Atom Count: | 22 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 323.0924357 |
Rotatable Bond Count: | 9 |
Topological Polar Surface Area: | 76.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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