| CAS Number | 954422-16-3 |
| Catalog Number | AG01BOVN |
| Chemical Name | 2′,3′,5′,6′-Tetrahydrospiro[2H-1-benzopyran-2,4′-[4H]pyran]-4(3H)-one |
| IUPAC Name | spiro[3H-chromene-2,4'-oxane]-4-one |
| InChI | InChI=1S/C13H14O3/c14-11-9-13(5-7-15-8-6-13)16-12-4-2-1-3-10(11)12/h1-4H,5-9H2 |
| InChI Key | MPBSZIUSQNFHKB-UHFFFAOYSA-N |
| MDL Number | MFCD25973274 |
| Molecular Formula | C13H14O3 |
| Molecular Weight | 218.2485 |
| SMILES | O=C1C2=C(OC3(CCOCC3)C1)C=CC=C2 |
| Synonyms | 2',3,3',4,5',6'-hexahydrospiro[2H-1-benzopyran-2,4'-[4H]pyran]-4-one,
3,4-dihydrospiro[1-benzopyran-2,4'-oxane]-4-one,
954422-16-3,
SCHEMBL4346384,
ZINC19374578,
AKOS030411117,
AM807499,
W-4985,
F2147-8355,
|
| Complexity | 281 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 218.094g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 218.252g/mol |
| Monoisotopic Mass | 218.094g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 35.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
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Certificate of Analysis
Lot Number