| CAS Number | 91133-71-0 |
| Catalog Number | AG00H2UQ(AGN-PC-0WCMQS) |
| Chemical Name | methyl 4-acetylamino-2-methylbenzate |
| IUPAC Name | methyl 4-acetamido-2-methylbenzoate |
| InChI | InChI=1S/C11H13NO3/c1-7-6-9(12-8(2)13)4-5-10(7)11(14)15-3/h4-6H,1-3H3,(H,12,13) |
| InChI Key | SXVFWPMLEPDWEP-UHFFFAOYSA-N |
| MDL Number | MFCD11042857 |
| Molecular Formula | C11H13NO3 |
| Molecular Weight | 207.2258 |
| SMILES | COC(=O)C1=CC=C(NC(C)=O)C=C1C |
| Synonyms | 91133-71-0,
Methyl 4-acetamido-2-methylbenzoate,
METHYL 4-ACETYLAMINO-2-METHYLBENZATE,
4-acetamido-2-methylbenzoic acid methyl ester,
Benzoic acid, 4-(acetylamino)-2-methyl-, methyl ester,
4-Acetylamino-2-methyl-benzoic acid methyl ester,
SCHEMBL5327455,
DTXSID40695151,
MFCD11042857,
ZINC44138631,
methyl 4-acetamido-2-methyl-benzoate,
AKOS022173078,
ACN-051213,
AS-38130,
AJ-109435,
X-1632,
A843734,
4-ACETAMIDO-2-METHYLBENZOICACIDMETHYLESTER,
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| Complexity | 252 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 207.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 207.229g/mol |
| Monoisotopic Mass | 207.09g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 55.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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