| CAS Number | 1607803-67-7 |
| Catalog Number | AG01E6CX(AGN-PC-3H45EE) |
| Chemical Name | BI09 |
| IUPAC Name | 7-(1,3-dioxan-2-yl)-8-hydroxy-1,2,3,4-tetrahydrochromeno[3,4-c]pyridin-5-one |
| InChI | InChI=1S/C16H17NO5/c18-12-3-2-10-9-4-5-17-8-11(9)15(19)22-14(10)13(12)16-20-6-1-7-21-16/h2-3,16-18H,1,4-8H2 |
| InChI Key | UYYMWNUDIOPESF-UHFFFAOYSA-N |
| MDL Number | MFCD30742940 |
| Molecular Formula | C16H17NO5 |
| Molecular Weight | 303.3099 |
| SMILES | OC1=CC=C2C3CCNCC=3C(=O)OC2=C1C1OCCCO1 |
| Synonyms | B I09,
CHEMBL3265268,
1607803-67-7,
UYYMWNUDIOPESF-UHFFFAOYSA-N,
BI09,
SCHEMBL16198368,
BDBM50013812,
AKOS032947173,
HY-107400,
CS-0028408,
7-(1,3-Dioxan-2-yl)-1,2,3,4-tetrahydro-8-hydroxy-5H-[1]benzopyrano[3,4-c]pyridin-5-one,
7-(1,3-dioxan-2-yl)-8-hydroxy-3,4-dihydro-1H-chromeno[3,4-c]pyridin-5(2H)-one,
|
| Complexity | 485 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 303.111g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 303.314g/mol |
| Monoisotopic Mass | 303.111g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 77A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number