| CAS Number | 361346-55-6 |
| Catalog Number | AG00I75L(AGN-PC-00QJ8S) |
| Chemical Name | 1-(4-Nitrophenyl)pyrrolidin-3-ol |
| IUPAC Name | 1-(4-nitrophenyl)pyrrolidin-3-ol |
| InChI | InChI=1S/C10H12N2O3/c13-10-5-6-11(7-10)8-1-3-9(4-2-8)12(14)15/h1-4,10,13H,5-7H2 |
| InChI Key | KWMXJSMRNOVCDS-UHFFFAOYSA-N |
| MDL Number | MFCD11037806 |
| Molecular Formula | C10H12N2O3 |
| Molecular Weight | 208.2139 |
| SMILES | OC1CN(C2=CC=C([N+]([O-])=O)C=C2)CC1 |
| Synonyms | 1-(4-nitrophenyl)pyrrolidin-3-ol,
361346-55-6,
3-Pyrrolidinol, 1-(4-nitrophenyl)-,
(3R)-1-(4-nitrophenyl)pyrrolidin-3-ol,
181959-79-5,
SCHEMBL2126184,
CTK1B6491,
DTXSID80476906,
KWMXJSMRNOVCDS-UHFFFAOYSA-N,
1-(4-Nitrophenyl)pyrroidin-3-ol,
1-(4-nitrophenyl)-3-pyrrolidinol,
MFCD11037806,
AKOS012214824,
N-(4-nitrophenyl)-3-hydroxypyrrolidine,
K-8099,
(3S)-1-(4-nitrophenyl)pyrrolidin-3-ol,
791850-16-3,
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| Complexity | 233 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 208.085g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 208.217g/mol |
| Monoisotopic Mass | 208.085g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 69.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
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Certificate of Analysis
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