| CAS Number | 109959-44-6 |
| Catalog Number | AG00HBNB(AGN-PC-000KYX) |
| Chemical Name | 2-(3-Hydroxy-2-pentylcyclopentyl)acetic acid |
| IUPAC Name | 2-(3-hydroxy-2-pentylcyclopentyl)acetic acid |
| InChI | InChI=1S/C12H22O3/c1-2-3-4-5-10-9(8-12(14)15)6-7-11(10)13/h9-11,13H,2-8H2,1H3,(H,14,15) |
| InChI Key | AXMWVEOITAQHFI-UHFFFAOYSA-N |
| MDL Number | MFCD24483167 |
| Molecular Formula | C12H22O3 |
| Molecular Weight | 214.3013 |
| SMILES | CCCCCC1C(O)CCC1CC(O)=O |
| Synonyms | 109959-44-6,
2-(3-Hydroxy-2-pentylcyclopentyl)acetic acid,
(3-hydroxy-2-pentylcyclopentyl)acetic acid,
SCHEMBL670583,
AKOS026671119,
3-hydroxy-2-pentylcyclopentaneacetic acid,
Cyclopentaneacetic acid, 3-hydroxy-2-pentyl-,
J3.546.432H,
109008-60-8,
CID10081972,
2-(3-hydroxy-2-pentyl-cyclopentyl)acetic Acid,
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| Complexity | 203 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 214.157g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 214.305g/mol |
| Monoisotopic Mass | 214.157g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 57.5A^2 |
| Undefined Atom Stereocenter Count | 3 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
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Certificate of Analysis
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