| CAS Number | 152368-17-7 |
| Catalog Number | AG00AD42(AGN-PC-0KSCJY) |
| Chemical Name | 5-Hydroxy-2-(morpholinomethyl)-4H-pyran-4-one |
| IUPAC Name | 5-hydroxy-2-(morpholin-4-ylmethyl)pyran-4-one |
| InChI | InChI=1S/C10H13NO4/c12-9-5-8(15-7-10(9)13)6-11-1-3-14-4-2-11/h5,7,13H,1-4,6H2 |
| InChI Key | IYSJGXVZXRIYPD-UHFFFAOYSA-N |
| MDL Number | MFCD04122633 |
| Molecular Formula | C10H13NO4 |
| Molecular Weight | 211.2145 |
| SMILES | C1=C(CN2CCOCC2)OC=C(O)C1=O |
| Synonyms | 152368-17-7,
5-Hydroxy-2-(morpholinomethyl)-4H-pyran-4-one,
5-hydroxy-2-(morpholin-4-ylmethyl)-4H-pyran-4-one,
5-HYDROXY-2-(4-MORPHOLINYLMETHYL)-4H-PYRAN-4-ONE,
5-hydroxy-2-(morpholin-4-ylmethyl)pyran-4-one,
AC1MOCQN,
SCHEMBL4160504,
DTXSID50391410,
IYSJGXVZXRIYPD-UHFFFAOYSA-N,
BBL036793,
MFCD04122633,
STK934814,
ZINC25721364,
AKOS005208378,
MCULE-5061886169,
AJ-82051,
Y-1234,
5-hydroxy-2-(4-morpholinylmethyl)-4H-pyran-4-one(SALTDATA,
CID3318252,
4-[(Chloroacetyl)amino]-3-methylbenzoic acid,
|
| Complexity | 315 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 211.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 211.217g/mol |
| Monoisotopic Mass | 211.084g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 59A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number