| CAS Number | 19936-22-2 |
| Catalog Number | AG002C3R(AGN-PC-000IJI) |
| Chemical Name | BENZOIC ACID, 4-CYCLOPENTYL- |
| IUPAC Name | 4-cyclopentylbenzoic acid |
| InChI | InChI=1S/C12H14O2/c13-12(14)11-7-5-10(6-8-11)9-3-1-2-4-9/h5-9H,1-4H2,(H,13,14) |
| InChI Key | URANGAMHASGWGX-UHFFFAOYSA-N |
| MDL Number | MFCD11111737 |
| Molecular Formula | C12H14O2 |
| Molecular Weight | 190.2384 |
| SMILES | C1(CCCC1)C1=CC=C(C(=O)O)C=C1 |
| Synonyms | 4-cyclopentylBenzoic acid,
19936-22-2,
Benzoic acid, 4-cyclopentyl-,
4-Cyclopentyl-benzoic Acid,
SCHEMBL3495930,
CTK0A0084,
DTXSID00556810,
URANGAMHASGWGX-UHFFFAOYSA-N,
ZINC5945065,
AKOS006307958,
DA-08546,
FT-0703690,
Z2168541838,
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| Complexity | 198 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 190.099g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 190.242g/mol |
| Monoisotopic Mass | 190.099g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 4 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number