Methyl 4-amino-3-(2-ethoxy-2-oxoethoxy)benzoate - CAS 1096309-38-4
Catalog: |
BB059442 |
Product Name: |
Methyl 4-amino-3-(2-ethoxy-2-oxoethoxy)benzoate |
CAS: |
1096309-38-4 |
Synonyms: |
methyl 4-amino-3-(2-ethoxy-2-oxoethoxy)benzoate; Methyl4-amino-3-(2-ethoxy-2-oxoethoxy)benzoate |
IUPAC Name: | methyl 4-amino-3-(2-ethoxy-2-oxoethoxy)benzoate |
Description: | Methyl 4-amino-3-(2-ethoxy-2-oxoethoxy)benzoate |
Molecular Weight: | 253.25 |
Molecular Formula: | C12H15NO5 |
Canonical SMILES: | CCOC(=O)COC1=C(C=CC(=C1)C(=O)OC)N |
InChI: | InChI=1S/C12H15NO5/c1-3-17-11(14)7-18-10-6-8(12(15)16-2)4-5-9(10)13/h4-6H,3,7,13H2,1-2H3 |
InChI Key: | LSARPDFBROSZLT-UHFFFAOYSA-N |
Complexity: | 294 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 253.09502258 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 253.09502258 |
Rotatable Bond Count: | 7 |
Topological Polar Surface Area: | 87.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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