| CAS Number | 53618-29-4 |
| Catalog Number | AG01A68M(AGN-PC-0053HH) |
| Chemical Name | ethyl 2-methyl-3-(4-nitrophenyl)prop-2-enoate |
| IUPAC Name | ethyl (E)-2-methyl-3-(4-nitrophenyl)prop-2-enoate |
| InChI | InChI=1S/C12H13NO4/c1-3-17-12(14)9(2)8-10-4-6-11(7-5-10)13(15)16/h4-8H,3H2,1-2H3/b9-8+ |
| InChI Key | MMMHCLCYSGLACG-CMDGGOBGSA-N |
| MDL Number | MFCD17015566 |
| Molecular Formula | C12H13NO4 |
| Molecular Weight | 235.2359 |
| SMILES | CCOC(C(C)=CC1=CC=C([N+]([O-])=O)C=C1)=O |
| Synonyms | 53618-29-4,
SCHEMBL3034223,
MMMHCLCYSGLACG-CMDGGOBGSA-N,
ZINC95829240,
NE54805,
BC4714006,
(E)-ethyl 2-methyl-3-(4-nitrophenyl)acrylate,
(e)-ethyl 3-(4-nitrophenyl)-2-methylacrylate,
EN300-131875,
ethyl 3-(4-nitrophenyl)-2-methyl-2-propenoate,
alpha-Methyl-4-nitro-trans-cinnamic acid ethyl ester,
alpha-Methyl-4-nitrobenzeneacrylic acid ethyl ester,
CID11241815,
ethyl 2-methyl-3-(4-nitrophenyl)prop-2-enoate,
Ethyl (E)-2-methyl-3-(4-nitrophenyl)prop-2-enoate,
65480-44-6,
|
| Complexity | 311 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 235.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 235.239g/mol |
| Monoisotopic Mass | 235.084g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 72.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number