| CAS Number | 790271-11-3 |
| Catalog Number | AG00G3U3 |
| Chemical Name | (2e)-3-[3-chloro-5-methoxy-4-(2-methylpropoxy)phenyl]prop-2-enoic acid |
| IUPAC Name | (E)-3-[3-chloro-5-methoxy-4-(2-methylpropoxy)phenyl]prop-2-enoic acid |
| InChI | InChI=1S/C14H17ClO4/c1-9(2)8-19-14-11(15)6-10(4-5-13(16)17)7-12(14)18-3/h4-7,9H,8H2,1-3H3,(H,16,17)/b5-4+ |
| InChI Key | YTYZKOPTJUDXGV-SNAWJCMRSA-N |
| MDL Number | MFCD06357879 |
| Molecular Formula | C14H17ClO4 |
| Molecular Weight | 284.7354 |
| SMILES | O=C(O)/C=C/C1=CC(OC)=C(OCC(C)C)C(Cl)=C1 |
| Synonyms | (2E)-3-(3-chloro-4-isobutoxy-5-methoxyphenyl)acrylic acid,
790271-11-3,
J-500756,
3-[3-chloro-5-methoxy-4-(2-methylpropoxy)phenyl]prop-2-enoic Acid,
AC1M8G7W,
AC1Q475F,
ZINC3394207,
AKOS008967750,
NE20173,
SEL10409443,
EN300-11102,
(E)-3-[3-chloro-5-methoxy-4-(2-methylpropoxy)phenyl]prop-2-enoic acid,
CID2512661,
|
| Complexity | 317 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 284.082g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 284.736g/mol |
| Monoisotopic Mass | 284.082g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 55.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number