| CAS Number | 90544-87-9 |
| Catalog Number | AG00IG6R(AGN-PC-03TRJM) |
| Chemical Name | 4-(Methoxycarbonylmethyl-Amino)-Benzoic Acid Methyl Ester |
| IUPAC Name | methyl 4-[(2-methoxy-2-oxoethyl)amino]benzoate |
| InChI | InChI=1S/C11H13NO4/c1-15-10(13)7-12-9-5-3-8(4-6-9)11(14)16-2/h3-6,12H,7H2,1-2H3 |
| InChI Key | KVMNBFJZVNPCDU-UHFFFAOYSA-N |
| MDL Number | MFCD12401906 |
| Molecular Formula | C11H13NO4 |
| Molecular Weight | 223.2252 |
| SMILES | COC(=O)CNc1ccc(cc1)C(=O)OC |
| Synonyms | 90544-87-9,
4-(METHOXYCARBONYLMETHYL-AMINO)-BENZOIC ACID METHYL ESTER,
Methyl 4-((2-methoxy-2-oxoethyl)amino)benzoate,
methyl 4-[(2-methoxy-2-oxoethyl)amino]benzoate,
MFCD12401906,
ZINC21003635,
AKOS002682908,
MCULE-1798403766,
NCGC00321037-01,
BB 0237826,
CS-0037651,
AB01315433-02,
Z199057586,
4-(Methoxycarbonylmethyl-amino)-benzoic acid methyl ester,
Benzoic acid, 4-[(2-methoxy-2-oxoethyl)amino]-, methyl ester,
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| Complexity | 246 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 223.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 223.228g/mol |
| Monoisotopic Mass | 223.084g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 64.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number