| CAS Number | 90054-89-0 |
| Catalog Number | AG006KJU(AGN-PC-0OM8P1) |
| Chemical Name | (E)-4-Morpholinobut-3-en-2-one |
| IUPAC Name | 4-morpholin-4-ylbut-3-en-2-one |
| InChI | InChI=1S/C8H13NO2/c1-8(10)2-3-9-4-6-11-7-5-9/h2-3H,4-7H2,1H3 |
| InChI Key | XCWAJRMCPJDYBX-UHFFFAOYSA-N |
| MDL Number | MFCD00969400 |
| Molecular Formula | C8H13NO2 |
| Molecular Weight | 155.1943 |
| SMILES | CC(=O)/C=C/N1CCOCC1 |
| Synonyms | 3-Buten-2-one, 4-(4-morpholinyl)-, (E)-,
90054-89-0,
(E)-4-Morpholinobut-3-en-2-one,
4-(morpholin-4-yl)but-3-en-2-one,
AC1L762H,
CTK3I5005,
4-morpholin-4-ylbut-3-en-2-one,
AKOS026742702,
Z2405277060,
CID330054,
NSC315564,
(E)-4-morpholin-4-ylbut-3-en-2-one,
6051-55-4,
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| Complexity | 160 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 155.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 155.197g/mol |
| Monoisotopic Mass | 155.095g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 29.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | -0.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number