| CAS Number | 879642-95-2 |
| Catalog Number | AG008BW1(AGN-PC-0WB4FG) |
| Chemical Name | (E)-3-(4-((2-Chlorobenzyl)oxy)phenyl)acrylic acid |
| IUPAC Name | 3-[4-[(2-chlorophenyl)methoxy]phenyl]prop-2-enoic acid |
| InChI | InChI=1S/C16H13ClO3/c17-15-4-2-1-3-13(15)11-20-14-8-5-12(6-9-14)7-10-16(18)19/h1-10H,11H2,(H,18,19) |
| InChI Key | GAPYHVXKEHLZQP-UHFFFAOYSA-N |
| MDL Number | MFCD05863693 |
| Molecular Formula | C16H13ClO3 |
| Molecular Weight | 288.7256 |
| SMILES | C(O)(=O)/C=C/C1C=CC(=CC=1)OCC1=CC=CC=C1Cl |
| Synonyms | 879642-95-2,
3-[4-[(2-chlorophenyl)methoxy]phenyl]prop-2-enoic Acid,
(2E)-3-{4-[(2-CHLOROBENZYL)OXY]PHENYL}ACRYLIC ACID,
(E)-3-(4-((2-Chlorobenzyl)oxy)phenyl)acrylic acid,
AC1MQYYH,
CTK5F9204,
DTXSID50392922,
AKOS030253914,
MCULE-9072893783,
CID3484627,
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| Complexity | 335 |
| 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