| CAS Number | 83164-95-8 |
| Catalog Number | AG0050E6(AGN-PC-00J3WV) |
| Chemical Name | Methyl 1,4-Dihydro-1,4-Epoxynaphthalene-1-Carboxylate |
| IUPAC Name | methyl 11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene-1-carboxylate |
| InChI | InChI=1S/C12H10O3/c1-14-11(13)12-7-6-10(15-12)8-4-2-3-5-9(8)12/h2-7,10H,1H3 |
| InChI Key | UIGDBIZVIJCOFX-UHFFFAOYSA-N |
| MDL Number | MFCD28122798 |
| Molecular Formula | C12H10O3 |
| Molecular Weight | 202.2060 |
| SMILES | O=C(C1(O2)C=CC2C3=C1C=CC=C3)OC |
| Synonyms | Methyl 1,4-epoxynaphthalene-1(4H)-carboxylate,
83164-95-8,
1,4-Epoxynaphthalene-1(4H)-carboxylic acid, methyl ester,
Methyl 1,4-dihydro-1,4-epoxynaphthalene-1-carboxylate,
SCHEMBL20793926,
CTK2I6346,
KS-00001BIS,
DTXSID70574420,
MFCD28122798,
TZ000850,
CS-0036291,
1,4-Epoxy-1,4-dihydronaphthalene-1-carboxylic acid methyl ester,
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| Complexity | 323 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 202.063g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 202.209g/mol |
| Monoisotopic Mass | 202.063g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 35.5A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number