| CAS Number | 22511-42-8 |
| Catalog Number | AG01EH63(AGN-PC-00GK0R) |
| Chemical Name | Methyl 2-(2-ethoxy-2-oxoethoxy)benzoate |
| IUPAC Name | methyl 2-(2-ethoxy-2-oxoethoxy)benzoate |
| InChI | InChI=1S/C12H14O5/c1-3-16-11(13)8-17-10-7-5-4-6-9(10)12(14)15-2/h4-7H,3,8H2,1-2H3 |
| InChI Key | XURJYWPXVPKIOX-UHFFFAOYSA-N |
| MDL Number | MFCD15523624 |
| Molecular Formula | C12H14O5 |
| Molecular Weight | 238.2366 |
| SMILES | CCOC(COC1=C(C(OC)=O)C=CC=C1)=O |
| Synonyms | methyl 2-(2-ethoxy-2-oxoethoxy)benzoate,
22511-42-8,
SCHEMBL7897849,
XURJYWPXVPKIOX-UHFFFAOYSA-N,
ZINC36449558,
methyl 2-ethoxycarbonylmethoxybenzoate,
SC-57535,
BENZOIC ACID,2-(2-ETHOXY-2-OXOETHOXY)-,METHYL ESTE,
CID11806683,
Methyl 2-(ethoxycarbonylmethoxy)benzoate,
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| Complexity | 264 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 238.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 238.239g/mol |
| Monoisotopic Mass | 238.084g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 61.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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