| CAS Number | 113982-23-3 |
| Catalog Number | AG01C0GF(AGN-PC-0NYCE2) |
| Chemical Name | (2E)-3-[2-(benzyloxy)phenyl]prop-2-enoic acid |
| IUPAC Name | 3-(2-phenylmethoxyphenyl)prop-2-enoic acid |
| InChI | InChI=1S/C16H14O3/c17-16(18)11-10-14-8-4-5-9-15(14)19-12-13-6-2-1-3-7-13/h1-11H,12H2,(H,17,18) |
| InChI Key | LCUILCDHTJZGOQ-UHFFFAOYSA-N |
| MDL Number | MFCD02257382 |
| Molecular Formula | C16H14O3 |
| Molecular Weight | 254.2806 |
| SMILES | OC(/C=C/C1=C(OCC2=CC=CC=C2)C=CC=C1)=O |
| Synonyms | 2-Propenoic acid, 3-[2-(phenylmethoxy)phenyl]-,
144242-91-1,
113982-23-3,
AC1NCZQV,
ACMC-20n3rt,
3-(2-phenylmethoxyphenyl)prop-2-enoic Acid,
CTK0E9769,
CTK7I2958,
DTXSID80404082,
MCULE-9645489796,
(2E)-3-[2-(BENZYLOXY)PHENYL]ACRYLIC ACID,
(2E)-3-[2-(benzyloxy)phenyl]prop-2-enoic acid, E,
2-benzyloxycinnamic acid,
CID4542033,
(2E)-3-[2-(benzyloxy)phenyl]prop-2-enoic acid,
|
| Complexity | 305 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 254.094g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 254.285g/mol |
| Monoisotopic Mass | 254.094g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number