| CAS Number | 879642-82-7 |
| Catalog Number | AG008BW2(AGN-PC-0WB4F6) |
| Chemical Name | (E)-3-(4-((4-Chlorobenzyl)oxy)phenyl)acrylic acid |
| IUPAC Name | 3-[4-[(4-chlorophenyl)methoxy]phenyl]prop-2-enoic acid |
| InChI | InChI=1S/C16H13ClO3/c17-14-6-1-13(2-7-14)11-20-15-8-3-12(4-9-15)5-10-16(18)19/h1-10H,11H2,(H,18,19) |
| InChI Key | IRCGUVJWCKSXHE-UHFFFAOYSA-N |
| MDL Number | MFCD05863692 |
| Molecular Formula | C16H13ClO3 |
| Molecular Weight | 288.7256 |
| SMILES | C(O)(=O)/C=C/C1C=CC(=CC=1)OCC1=CC=C(C=C1)Cl |
| Synonyms | 3-[4-[(4-chlorophenyl)methoxy]phenyl]prop-2-enoic Acid,
879642-82-7,
(2E)-3-{4-[(4-CHLOROBENZYL)OXY]PHENYL}ACRYLIC ACID,
AC1MQYYB,
SCHEMBL9018634,
CTK5F9203,
DTXSID90392921,
AKOS030253918,
MCULE-2774965765,
(E)-3-(4-((4-Chlorobenzyl)oxy)phenyl)acrylic acid,
CID3484625,
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| Complexity | 327 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 288.055g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 288.727g/mol |
| Monoisotopic Mass | 288.055g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 4 |
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Certificate of Analysis
Lot Number