| CAS Number | 239088-81-4 |
| Catalog Number | AG00BPDU(AGN-PC-0WOHKJ) |
| Chemical Name | (E)-Ethyl 3-(4-(tert-butoxycarbonylamino)phenyl)acrylate |
| IUPAC Name | ethyl (E)-3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]prop-2-enoate |
| InChI | InChI=1S/C16H21NO4/c1-5-20-14(18)11-8-12-6-9-13(10-7-12)17-15(19)21-16(2,3)4/h6-11H,5H2,1-4H3,(H,17,19)/b11-8+ |
| InChI Key | BBSWQBQZKDJGRV-DHZHZOJOSA-N |
| MDL Number | MFCD11616706 |
| Molecular Formula | C16H21NO4 |
| Molecular Weight | 291.3422 |
| SMILES | CCOC(=O)/C=C/c1ccc(cc1)NC(=O)OC(C)(C)C |
| Synonyms | 239088-81-4,
(E)-ETHYL 3-(4-(TERT-BUTOXYCARBONYLAMINO)PHENYL)ACRYLATE,
SCHEMBL7748042,
(E)-ethyl3-(4-(tert-butoxycarbonylamino)phenyl)acrylate,
BBSWQBQZKDJGRV-DHZHZOJOSA-N,
MFCD11616706,
ZINC74938113,
AKOS014475976,
K-6473,
4-[(tert-Butyloxycarbonyl)amino]cinnamic acid ethyl ester,
3-[4-(tert-Butoxycarbonylamino)phenyl]propenoic acid ethyl ester,
Ethyl (E)-3-{4-[(tert-Butoxycarbonyl)amino]phenyl}-2-propenoate,
-ETHYL3-(4- ACRYLATE,
CID10017162,
Ethyl (E)-3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]prop-2-enoate,
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| Complexity | 376 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 291.147g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 291.347g/mol |
| Monoisotopic Mass | 291.147g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 64.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
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Certificate of Analysis
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