| CAS Number | 113641-76-2 |
| Catalog Number | AG00IZXM(AGN-PC-0NY8YT) |
| Chemical Name | (2E)-3-(4-iodophenyl)prop-2-enoic acid |
| IUPAC Name | 3-(4-iodophenyl)prop-2-enoic acid |
| InChI | InChI=1S/C9H7IO2/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6H,(H,11,12) |
| InChI Key | NIDLJAPEZBFHGP-UHFFFAOYSA-N |
| MDL Number | MFCD00046553 |
| Molecular Formula | C9H7IO2 |
| Molecular Weight | 274.0551 |
| SMILES | IC1=CC=C(C=C1)/C=C/C(=O)O |
| Synonyms | 3-(4-iodophenyl)prop-2-enoic Acid,
p-IODOCINNAMIC ACID,
113641-76-2,
(E)-3-(4-iodophenyl)acrylic acid,
4-Iodo-cinnamic acid,
AC1MTFKM,
CTK7I5553,
DTXSID20394034,
NIDLJAPEZBFHGP-UHFFFAOYSA-N,
KS-000027XS,
3-(4-iodophenyl)-2-propenoic acid,
AKOS030240588,
DB-048664,
FT-0639204,
A822327,
4-Iodocinnamic acid,
3-(4-Iodophenyl)propenoic acid,
CID3599788,
34633-09-5,
|
| Complexity | 181 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 273.949g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 274.057g/mol |
| Monoisotopic Mass | 273.949g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number