| CAS Number | 761440-58-8 |
| Catalog Number | AG00ICPH(AGN-PC-03HOL1) |
| Chemical Name | 1-(3-Methoxy-4-nitrophenyl)pyrrolidin-3-ol |
| IUPAC Name | 1-(3-methoxy-4-nitrophenyl)pyrrolidin-3-ol |
| InChI | InChI=1S/C11H14N2O4/c1-17-11-6-8(2-3-10(11)13(15)16)12-5-4-9(14)7-12/h2-3,6,9,14H,4-5,7H2,1H3 |
| InChI Key | IRPVQBHMMZEOMC-UHFFFAOYSA-N |
| MDL Number | MFCD16249533 |
| Molecular Formula | C11H14N2O4 |
| Molecular Weight | 238.2399 |
| SMILES | COc1cc(ccc1[N+](=O)[O-])N1CCC(C1)O |
| Synonyms | 1-(3-methoxy-4-nitrophenyl)pyrrolidin-3-ol,
761440-58-8,
SCHEMBL5391699,
IRPVQBHMMZEOMC-UHFFFAOYSA-N,
KM1740,
MFCD16249533,
AKOS006253015,
3-Pyrrolidinol, 1-(3-methoxy-4-nitrophenyl)-,
(S)-1-(3-Methoxy-4-nitrophenyl)pyrrolidin-3-ol,
1417789-44-6,
|
| Complexity | 281 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 238.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 238.243g/mol |
| Monoisotopic Mass | 238.095g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 78.5A^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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