| CAS Number | 571919-28-3 |
| Catalog Number | AG00F2ND(AGN-PC-0SN41A) |
| Chemical Name | 2-Cyano-3-(4-ethoxyphenyl)acrylic acid |
| IUPAC Name | (Z)-2-cyano-3-(4-ethoxyphenyl)prop-2-enoic acid |
| InChI | InChI=1S/C12H11NO3/c1-2-16-11-5-3-9(4-6-11)7-10(8-13)12(14)15/h3-7H,2H2,1H3,(H,14,15)/b10-7- |
| InChI Key | MYBMSWJVQCPVJH-YFHOEESVSA-N |
| MDL Number | MFCD01204725 |
| Molecular Formula | C12H11NO3 |
| Molecular Weight | 217.2206 |
| SMILES | CCOC1=CC=C(C=C(C(O)=O)C#N)C=C1 |
| Synonyms | 2-Cyano-3-(4-ethoxy-phenyl)-acrylic acid,
EN300-06608,
2-cyano-3-(4-ethoxyphenyl)prop-2-enoic Acid,
571919-28-3,
AC1M71C0,
AC1Q364W,
MFCD01204725,
STL377906,
ZINC12504655,
AKOS003601103,
NE28879,
(2Z)-2-cyano-3-(4-ethoxyphenyl)prop-2-enoic acid,
(Z)-2-cyano-3-(4-ethoxyphenyl)prop-2-enoic acid,
CID2459103,
2-Cyano-3-(4-ethoxyphenyl)acrylic acid,
|
| Complexity | 318 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 217.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 217.224g/mol |
| Monoisotopic Mass | 217.074g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 70.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number