| CAS Number | 31846-34-1 |
| Catalog Number | AG01EHCJ(AGN-PC-0R74DX) |
| Chemical Name | Ethyl 7-methoxy-1-oxo-3,4-dihydro-2H-naphthalene-2-carboxylate |
| IUPAC Name | ethyl 7-methoxy-1-oxo-3,4-dihydro-2H-naphthalene-2-carboxylate |
| InChI | InChI=1S/C14H16O4/c1-3-18-14(16)11-7-5-9-4-6-10(17-2)8-12(9)13(11)15/h4,6,8,11H,3,5,7H2,1-2H3 |
| InChI Key | UQLYGZXJQPCYHT-UHFFFAOYSA-N |
| MDL Number | MFCD16317602 |
| Molecular Formula | C14H16O4 |
| Molecular Weight | 248.2744 |
| SMILES | CCOC(=O)C1CCc2c(C1=O)cc(cc2)OC |
| Synonyms | SCHEMBL8435265,
UQLYGZXJQPCYHT-UHFFFAOYSA-N,
Ethyl 7-methoxy-1-oxo-3,4-dihydro-2H-naphthalene-2-carboxylate,
AKOS017800130,
7-methoxy-1-oxo-1,2,3,4-tetrahydronaphthalen-2-carboxylic acid ethyl ester,
1-Oxo-7-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid ethyl ester,
31846-34-1,
CID10848142,
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| Complexity | 326 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 248.105g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 248.278g/mol |
| Monoisotopic Mass | 248.105g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 52.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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