| CAS Number | 64054-40-6 |
| Catalog Number | AG00EBLG(AGN-PC-0746RN) |
| Chemical Name | 7-(2-(3-Hydroxyoctyl)-5-oxopyrrolidin-1-yl)heptanoic acid |
| IUPAC Name | 7-[2-(3-hydroxyoctyl)-5-oxopyrrolidin-1-yl]heptanoic acid |
| InChI | InChI=1S/C19H35NO4/c1-2-3-6-9-17(21)13-11-16-12-14-18(22)20(16)15-8-5-4-7-10-19(23)24/h16-17,21H,2-15H2,1H3,(H,23,24) |
| InChI Key | CBWGHEDGUILASE-UHFFFAOYSA-N |
| MDL Number | MFCD11976917 |
| Molecular Formula | C19H35NO4 |
| Molecular Weight | 341.4855 |
| SMILES | OC(CCC1N(C(CC1)=O)CCCCCCC(=O)O)CCCCC |
| Synonyms | CAY 10580,
CAY-10580,
CAY10580,
64054-40-6,
CHEMBL15096,
2-(3-hydroxyoctyl)-5-oxo-1-pyrrolidineheptanoic acid,
CAY10580,
CTK8F3571,
DTXSID10658096,
1326AH,
7-[2-(3-HYDROXYOCTYL)-5-OXOPYRROLIDIN-1-YL]HEPTANOIC ACID,
BDBM50125403,
AKOS027288931,
7-[2-(3-Hydroxy-octyl)-5-oxo-pyrrolidin-1-yl]-heptanoic acid,
C19H35NO4,
CBWGHEDGUILASE-UHFFFAOYSA-N,
CAY 10580,
CAY-10580,
C561931,
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| Complexity | 372 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 341.257g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 341.492g/mol |
| Monoisotopic Mass | 341.257g/mol |
| Rotatable Bond Count | 14 |
| Topological Polar Surface Area | 77.8A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number