| CAS Number | 19920-79-7 |
| Catalog Number | AG002BZM(AGN-PC-0JP3C2) |
| Chemical Name | 3-Cyclopentylbenzoic acid |
| IUPAC Name | 3-cyclopentylbenzoic acid |
| InChI | InChI=1S/C12H14O2/c13-12(14)11-7-3-6-10(8-11)9-4-1-2-5-9/h3,6-9H,1-2,4-5H2,(H,13,14) |
| InChI Key | GQVWASOWRGJNCI-UHFFFAOYSA-N |
| MDL Number | MFCD20486552 |
| Molecular Formula | C12H14O2 |
| Molecular Weight | 190.2384 |
| NSC Number | 126990 |
| SMILES | O=C(O)C1=CC=CC(C2CCCC2)=C1 |
| Synonyms | 3-cyclopentylbenzoic acid,
19920-79-7,
Benzoic acid, 3-cyclopentyl-,
NSC126990,
AC1L5N0R,
AC1Q5U3I,
Benzoic acid,3-cyclopentyl-,
SCHEMBL6051833,
CTK4E2745,
ZINC1715565,
AKOS023094456,
NSC-126990,
Z2574360273,
AR-1F2888,
CID277923,
3-CYCLOPENTYL-3-OXO-PROPIONITRILE,
20012-63-9,
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| Complexity | 206 |
| 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 | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4 |
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Certificate of Analysis
Lot Number