| CAS Number | 938181-32-9 |
| Catalog Number | AG003AA6(AGN-PC-0I6BMB) |
| Chemical Name | ETHYL 5-OXOOXEPANE-4-CARBOXYLATE |
| IUPAC Name | ethyl 5-oxooxepane-4-carboxylate |
| InChI | InChI=1S/C9H14O4/c1-2-13-9(11)7-3-5-12-6-4-8(7)10/h7H,2-6H2,1H3 |
| InChI Key | FTRZAHWLSIAJSW-UHFFFAOYSA-N |
| MDL Number | MFCD22544171 |
| Molecular Formula | C9H14O4 |
| Molecular Weight | 186.2051 |
| SMILES | O=C(C1CCOCCC1=O)OCC |
| Synonyms | ETHYL 5-OXOOXEPANE-4-CARBOXYLATE,
938181-32-9,
SCHEMBL4143964,
Ethyl 5-oxo-4-oxepanecarboxylate,
FTRZAHWLSIAJSW-UHFFFAOYSA-N,
KS-00001B8K,
MFCD22544171,
AKOS027338492,
AB77314,
CS-0047300,
FT-0769376,
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| Complexity | 200 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 186.089g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 186.207g/mol |
| Monoisotopic Mass | 186.089g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 52.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
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Certificate of Analysis
Lot Number