| CAS Number | 889996-24-1 |
| Catalog Number | AG00IFJR |
| Chemical Name | Methyl 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,4-dioxobutanoate |
| IUPAC Name | methyl 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,4-dioxobutanoate |
| InChI | InChI=1S/C13H12O6/c1-17-13(16)10(15)7-9(14)8-2-3-11-12(6-8)19-5-4-18-11/h2-3,6H,4-5,7H2,1H3 |
| InChI Key | YFHDIUJBCCTRSM-UHFFFAOYSA-N |
| MDL Number | MFCD06496401 |
| Molecular Formula | C13H12O6 |
| Molecular Weight | 264.2308 |
| SMILES | COC(C(CC(C1=CC2=C(OCCO2)C=C1)=O)=O)=O |
| Synonyms | methyl 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,4-dioxobutanoate,
889996-24-1,
Methyl 4-(2,3-dihydrobenzo[b][1,4]dioxin-7-yl)-2,4-dioxobutanoate,
AC1NHA43,
MFCD06496401,
AKOS000267076,
ZINC100229735,
A-7972,
F2135-0577,
CID4736883,
Methyl 4-(7,10-dioxabicyclo[4.4.0]deca-2,4,11-trien-3-yl)-2,4-dioxo-butanoate,
|
| Complexity | 377 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 264.063g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 264.233g/mol |
| Monoisotopic Mass | 264.063g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 78.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number