| CAS Number | 1176042-70-8 |
| Catalog Number | AG01BTLI |
| Chemical Name | 1-(3,5-Dimethoxyphenyl)cyclopentane-1-carboxylic acid |
| IUPAC Name | 1-(3,5-dimethoxyphenyl)cyclopentane-1-carboxylic acid |
| InChI | InChI=1S/C14H18O4/c1-17-11-7-10(8-12(9-11)18-2)14(13(15)16)5-3-4-6-14/h7-9H,3-6H2,1-2H3,(H,15,16) |
| InChI Key | OUUWSGCCBHYUCI-UHFFFAOYSA-N |
| MDL Number | MFCD11037116 |
| Molecular Formula | C14H18O4 |
| Molecular Weight | 250.2903 |
| SMILES | COC1=CC(C2(C(O)=O)CCCC2)=CC(OC)=C1 |
| Synonyms | 1-(3,5-dimethoxyphenyl)cyclopentanecarboxylic acid,
1176042-70-8,
ZINC33487202,
AKOS022229282,
SY222265,
MFCD11037116 (95%),
1-(3,5-dimethoxyphenyl)cyclopentane-1-carboxylic acid,
Z2755724057,
|
| Complexity | 284 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 250.121g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 250.294g/mol |
| Monoisotopic Mass | 250.121g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 55.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number