| CAS Number | 340216-06-0 |
| Catalog Number | AG00C5SJ(AGN-PC-0WB4EU) |
| Chemical Name | (E)-3-(3-Ethoxy-5-iodo-4-methoxyphenyl)acrylic acid |
| IUPAC Name | 3-(3-ethoxy-5-iodo-4-methoxyphenyl)prop-2-enoic acid |
| InChI | InChI=1S/C12H13IO4/c1-3-17-10-7-8(4-5-11(14)15)6-9(13)12(10)16-2/h4-7H,3H2,1-2H3,(H,14,15) |
| InChI Key | PSDBCWAHXSMBMN-UHFFFAOYSA-N |
| MDL Number | MFCD01873777 |
| Molecular Formula | C12H13IO4 |
| Molecular Weight | 348.1337 |
| SMILES | C1(OC)=C(OCC)C=C(C=C1I)/C=C/C(O)=O |
| Synonyms | 3-(3-ethoxy-5-iodo-4-methoxyphenyl)prop-2-enoic acid,
340216-06-0,
(E)-3-(3-ETHOXY-5-IODO-4-METHOXYPHENYL)ACRYLIC ACID,
CBMicro_038794,
(2e)-3-(3-ethoxy-5-iodo-4-methoxyphenyl)acrylic acid,
AKOS B005615,
AC1LGT1T,
CTK4H1617,
DTXSID40358072,
AKOS030253909,
MCULE-6633586249,
CID876356,
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| Complexity | 280 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 347.986g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 348.136g/mol |
| Monoisotopic Mass | 347.986g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 55.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number