| CAS Number | 923170-30-3 |
| Catalog Number | AG01AGRZ |
| Chemical Name | 1-[4-(Propan-2-yl)phenyl]cyclopentane-1-carboxylic acid |
| IUPAC Name | 1-(4-propan-2-ylphenyl)cyclopentane-1-carboxylic acid |
| InChI | InChI=1S/C15H20O2/c1-11(2)12-5-7-13(8-6-12)15(14(16)17)9-3-4-10-15/h5-8,11H,3-4,9-10H2,1-2H3,(H,16,17) |
| InChI Key | NGAINRAEGWSQPY-UHFFFAOYSA-N |
| MDL Number | MFCD08445156 |
| Molecular Formula | C15H20O2 |
| Molecular Weight | 232.3181 |
| SMILES | CC(C1=CC=C(C2(C(O)=O)CCCC2)C=C1)C |
| Synonyms | 1-[4-(propan-2-yl)phenyl]cyclopentane-1-carboxylic acid,
923170-30-3,
1-(4-ISOPROPYLPHENYL)CYCLOPENTANECARBOXYLIC ACID,
AC1Q1OKO,
CTK6A4939,
ZINC20285249,
AKOS009113491,
MCULE-2447199420,
NE19353,
EN300-72665,
Z228589350,
|
| Complexity | 269 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 232.146g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 232.323g/mol |
| Monoisotopic Mass | 232.146g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.9 |
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Certificate of Analysis
Lot Number