| CAS Number | 729600-41-3 |
| Catalog Number | AG00ICC3(AGN-PC-036GD2) |
| Chemical Name | Benzoic acid, 4-[(2-ethoxy-2-oxoethyl)amino]-, methyl ester |
| IUPAC Name | methyl 4-[(2-ethoxy-2-oxoethyl)amino]benzoate |
| InChI | InChI=1S/C12H15NO4/c1-3-17-11(14)8-13-10-6-4-9(5-7-10)12(15)16-2/h4-7,13H,3,8H2,1-2H3 |
| InChI Key | APVZZPVUFDZUSK-UHFFFAOYSA-N |
| MDL Number | MFCD27928032 |
| Molecular Formula | C12H15NO4 |
| Molecular Weight | 237.2518 |
| SMILES | CCOC(=O)CNc1ccc(cc1)C(=O)OC |
| Synonyms | 729600-41-3,
Benzoic acid, 4-[(2-ethoxy-2-oxoethyl)amino]-, methyl ester,
Methyl 4-((2-ethoxy-2-oxoethyl)amino)benzoate,
SCHEMBL4035568,
APVZZPVUFDZUSK-UHFFFAOYSA-N,
MFCD27928032,
ZINC72888968,
CS-0037649,
4-(Ethoxycarbonylmethylamino)-benzoic acid methyl ester,
4-[(2-Ethoxy-2-oxoethyl)amino]-benzoic acid methyl ester,
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| Complexity | 259 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 237.1g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 237.255g/mol |
| Monoisotopic Mass | 237.1g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 64.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
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Certificate of Analysis
Lot Number