| CAS Number | 38982-28-4 |
| Catalog Number | AG00772R(AGN-PC-0KWPU3) |
| Chemical Name | 2-Oxobut-3-en-1-yl acetate |
| IUPAC Name | 2-oxobut-3-enyl acetate |
| InChI | InChI=1S/C6H8O3/c1-3-6(8)4-9-5(2)7/h3H,1,4H2,2H3 |
| InChI Key | GZNCCNHJQSRXNU-UHFFFAOYSA-N |
| MDL Number | MFCD03788805 |
| Molecular Formula | C6H8O3 |
| Molecular Weight | 128.1259 |
| SMILES | CC(=O)OCC(=O)C=C |
| Synonyms | ACETOXYMETHYL VINYL KETONE,
38982-28-4,
2-oxobut-3-enyl acetate,
1-acetoxybut-3-en-2-one,
ghl.PD_Mitscher_leg0.411,
AC1MTF2N,
Vinyl Acetoxymethyl Ketone,
SCHEMBL3993685,
1-(Acetyloxy)-3-buten-2-one,
CTK4I0778,
DTXSID60393783,
GZNCCNHJQSRXNU-UHFFFAOYSA-N,
Acetic acid 2-oxo 3-butenyl ester,
ZINC2510854,
2-OXOBUT-3-EN-1-YL ACETATE,
AKOS006277006,
AB16085,
FT-0661107,
CID3574547,
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| Complexity | 137 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 128.047g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 128.127g/mol |
| Monoisotopic Mass | 128.047g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 43.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number