| CAS Number | 854357-48-5 |
| Catalog Number | AG00IDO2(AGN-PC-0WR4HJ) |
| Chemical Name | (2E)-3-[4-(Cyanomethoxy)phenyl]acrylic acid |
| IUPAC Name | 3-[4-(cyanomethoxy)phenyl]prop-2-enoic acid |
| InChI | InChI=1S/C11H9NO3/c12-7-8-15-10-4-1-9(2-5-10)3-6-11(13)14/h1-6H,8H2,(H,13,14) |
| InChI Key | QQNDRZWCSPILDT-UHFFFAOYSA-N |
| MDL Number | MFCD06655887 |
| Molecular Formula | C11H9NO3 |
| Molecular Weight | 203.1941 |
| SMILES | OC(C=CC1=CC=C(OCC#N)C=C1)=O |
| Synonyms | 3-[4-(cyanomethoxy)phenyl]prop-2-enoic Acid,
854357-48-5,
AC1NLQOC,
CTK7D0639,
AKOS017276179,
MCULE-1758387727,
Z90664466,
CID4962465,
(2E)-3-[4-(cyanomethoxy)phenyl]acrylic acid,
|
| Complexity | 282 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 203.058g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 203.197g/mol |
| Monoisotopic Mass | 203.058g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 70.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number