| CAS Number | 80917-39-1 |
| Catalog Number | AG008LLX(AGN-PC-00M5BS) |
| Chemical Name | 3-[(Pyrrolidin-1-yl)carbonyl]phenol |
| IUPAC Name | (3-hydroxyphenyl)-pyrrolidin-1-ylmethanone |
| InChI | InChI=1S/C11H13NO2/c13-10-5-3-4-9(8-10)11(14)12-6-1-2-7-12/h3-5,8,13H,1-2,6-7H2 |
| InChI Key | CPEDRCTWMPTANX-UHFFFAOYSA-N |
| MDL Number | MFCD07633879 |
| Molecular Formula | C11H13NO2 |
| Molecular Weight | 191.2264 |
| SMILES | OC1=CC(C(N2CCCC2)=O)=CC=C1 |
| Synonyms | 80917-39-1,
(3-Hydroxyphenyl)(pyrrolidin-1-yl)methanone,
3-(pyrrolidine-1-carbonyl)phenol,
Pyrrolidine, 1-(3-hydroxybenzoyl)-,
3-[(Pyrrolidin-1-yl)carbonyl]phenol,
SCHEMBL2644377,
CTK3E4991,
DTXSID30537475,
ZINC19836900,
AKOS000207321,
Methanone, (3-hydroxyphenyl)-1-pyrrolidinyl-,
Z31480228,
(3-hydroxyphenyl)-pyrrolidin-1-ylmethanone,
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| Complexity | 211 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 191.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 191.23g/mol |
| Monoisotopic Mass | 191.095g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 40.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
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Certificate of Analysis
Lot Number