| CAS Number | 74427-40-0 |
| Catalog Number | AG005BM1(AGN-PC-0NK0AO) |
| Chemical Name | 2-Hydroxy-4-(pyrrolidin-1-yl)benzaldehyde |
| IUPAC Name | 2-hydroxy-4-pyrrolidin-1-ylbenzaldehyde |
| InChI | InChI=1S/C11H13NO2/c13-8-9-3-4-10(7-11(9)14)12-5-1-2-6-12/h3-4,7-8,14H,1-2,5-6H2 |
| InChI Key | JLOSVBJCDKETDE-UHFFFAOYSA-N |
| MDL Number | MFCD24674662 |
| Molecular Formula | C11H13NO2 |
| Molecular Weight | 191.2264 |
| SMILES | OC1=C(C=O)C=CC(N2CCCC2)=C1 |
| Synonyms | 74427-40-0,
2-hydroxy-4-(pyrrolidin-1-yl)benzaldehyde,
Benzaldehyde, 2-hydroxy-4-(1-pyrrolidinyl)-,
SCHEMBL7039585,
CTK2H0172,
DTXSID50507852,
2-Hydroxy-4-pyrrolizinobenzaldehyde,
2-hydroxy-4-pyrrolidin-1-ylbenzaldehyde,
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| Complexity | 202 |
| 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 | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 191.23g/mol |
| Monoisotopic Mass | 191.095g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 40.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
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Certificate of Analysis
Lot Number