| CAS Number | 145235-85-4 |
| Catalog Number | AG00ABMI(AGN-PC-0PWSRY) |
| Chemical Name | methyl (2Z)-3-[4-(acetyloxy)-2,6-dimethylphenyl]-2-acetamidoprop-2-enoate |
| IUPAC Name | methyl (Z)-2-acetamido-3-(4-acetyloxy-2,6-dimethylphenyl)prop-2-enoate |
| InChI | InChI=1S/C16H19NO5/c1-9-6-13(22-12(4)19)7-10(2)14(9)8-15(16(20)21-5)17-11(3)18/h6-8H,1-5H3,(H,17,18)/b15-8- |
| InChI Key | PDNQTSIFHHZKQF-NVNXTCNLSA-N |
| MDL Number | MFCD22418820 |
| Molecular Formula | C16H19NO5 |
| Molecular Weight | 305.3258 |
| SMILES | O=C(OC)C(NC(=O)C)=CC1(=C(C=C(OC(=O)C)C=C1C)C) |
| Synonyms | 145235-85-4,
(Z)-methyl 2-acetamido-3-(4-acetoxy-2,6-dimethylphenyl)acrylate,
methyl (2Z)-3-[4-(acetyloxy)-2,6-dimethylphenyl]-2-acetamidoprop-2-enoate,
CS-M3205,
ZINC95929125,
AKOS022168298,
MH-0715,
OR310518,
(Z)-2-(Acetylamino)-3-(4-acetoxy-2,6-dimethylphenyl)propenoic acid methyl ester,
2-(Acetylamino)-3-(4-acetoxy-2,6-dimethylphenyl)propenoic acid methyl ester,
2-Propenoic acid, 2-(acetylamino)-3-[4-(acetyloxy)-2,6-dimethylphenyl]-, methyl ester, (Z)-,
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| Complexity | 459 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 305.126g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 305.33g/mol |
| Monoisotopic Mass | 305.126g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 81.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number