| CAS Number | 1353878-28-0 |
| Catalog Number | AG00IT01(AGN-PC-0WB0NJ) |
| Chemical Name | 7-hydroxy-4-(pyrrolidin-1-ylmethyl)-2H-chromen-2-one |
| IUPAC Name | 7-hydroxy-4-(pyrrolidin-1-ylmethyl)chromen-2-one |
| InChI | InChI=1S/C14H15NO3/c16-11-3-4-12-10(9-15-5-1-2-6-15)7-14(17)18-13(12)8-11/h3-4,7-8,16H,1-2,5-6,9H2 |
| InChI Key | UJVZAUBWPMKTOP-UHFFFAOYSA-N |
| MDL Number | MFCD20444441 |
| Molecular Formula | C14H15NO3 |
| Molecular Weight | 245.2738 |
| SMILES | O=C2(OC1(=C(C=CC(=C1)O)C(=C2)CN3(CCCC3))) |
| Synonyms | 7-hydroxy-4-(pyrrolidin-1-ylmethyl)-2H-chromen-2-one,
1353878-28-0,
7-hydroxy-4-(pyrrolidin-1-ylmethyl)chromen-2-one,
AC1P72BC,
hydroxypyrrolidinylmethylchromenone,
KS-000027DD,
ZINC7380973,
MFCD20444441,
AKOS015991516,
KF-0058,
MCULE-2759519485,
RP14000,
7-hydroxy-4-[(pyrrolidin-1-yl)methyl]-2H-chromen-2-one,
CID8475506,
|
| Complexity | 360 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 245.105g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 245.278g/mol |
| Monoisotopic Mass | 245.105g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 49.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number