| CAS Number | 923172-11-6 |
| Catalog Number | AG00GUBZ |
| Chemical Name | 1-(3-methoxy-4-methylphenyl)cyclopentane-1-carboxylic acid |
| IUPAC Name | 1-(3-methoxy-4-methylphenyl)cyclopentane-1-carboxylic acid |
| InChI | InChI=1S/C14H18O3/c1-10-5-6-11(9-12(10)17-2)14(13(15)16)7-3-4-8-14/h5-6,9H,3-4,7-8H2,1-2H3,(H,15,16) |
| InChI Key | BJEXAQNLMVNICS-UHFFFAOYSA-N |
| MDL Number | MFCD08444757 |
| Molecular Formula | C14H18O3 |
| Molecular Weight | 234.2909 |
| SMILES | CC1=C(C=C(C=C1)C2(CCCC2)C(=O)O)OC |
| Synonyms | 1-(3-methoxy-4-methylphenyl)cyclopentane-1-carboxylic acid,
923172-11-6,
1-(3-METHOXY-4-METHYLPHENYL)CYCLOPENTANECARBOXYLIC ACID,
AC1Q44PN,
CTK6J6737,
ZINC20284358,
AKOS009113610,
MCULE-2323717260,
NE29040,
SY191161,
EN300-72597,
MFCD08444757 (95%),
J-503153,
Z228588460,
|
| Complexity | 281 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 234.126g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 234.295g/mol |
| Monoisotopic Mass | 234.126g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number