| CAS Number | 376346-53-1 |
| Catalog Number | AG019U5R(AGN-PC-0O9HBW) |
| Chemical Name | (2E)-3-(4-methoxyphenyl)but-2-enoic acid |
| IUPAC Name | 3-(4-methoxyphenyl)but-2-enoic acid |
| InChI | InChI=1S/C11H12O3/c1-8(7-11(12)13)9-3-5-10(14-2)6-4-9/h3-7H,1-2H3,(H,12,13) |
| InChI Key | FUINODAYLGQWJL-UHFFFAOYSA-N |
| MDL Number | MFCD00094743 |
| Molecular Formula | C11H12O3 |
| Molecular Weight | 192.2112 |
| SMILES | COC1=CC=C(/C(/C)=C/C(O)=O)C=C1 |
| Synonyms | 3-(4-methoxyphenyl)but-2-enoic acid,
(E)-3-(4-methoxyphenyl)but-2-enoic acid,
NSC168215,
(Z)-3-(4-methoxyphenyl)but-2-enoic acid,
19169-94-9,
376346-53-1,
AC1L6RCM,
CTK0I2078,
AKOS030255537,
MCULE-2787019026,
Z1350606476,
CID297249,
|
| Complexity | 225 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 192.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 192.214g/mol |
| Monoisotopic Mass | 192.079g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number