| CAS Number | 135569-29-8 |
| Catalog Number | AG01BVM0(AGN-PC-0O189S) |
| Chemical Name | 1-(4-Cyanophenyl)cyclopentanecarboxylic acid |
| IUPAC Name | 1-(4-cyanophenyl)cyclopentane-1-carboxylic acid |
| InChI | InChI=1S/C13H13NO2/c14-9-10-3-5-11(6-4-10)13(12(15)16)7-1-2-8-13/h3-6H,1-2,7-8H2,(H,15,16) |
| InChI Key | PMILUQHECXXKGR-UHFFFAOYSA-N |
| MDL Number | MFCD01012886 |
| Molecular Formula | C13H13NO2 |
| Molecular Weight | 215.2478 |
| SMILES | OC(C1(C2=CC=C(C#N)C=C2)CCCC1)=O |
| Synonyms | 1-(4-Cyanophenyl)cyclopentanecarboxylic acid,
135569-29-8,
1-(4-cyanophenyl)cyclopentane-1-carboxylic acid,
ZINC98178837,
AKOS022188772,
AJ-139943,
AX8286260,
Z2755724113,
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| Complexity | 314 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 215.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 215.252g/mol |
| Monoisotopic Mass | 215.095g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 61.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
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Certificate of Analysis
Lot Number