| CAS Number | 1019446-81-1 |
| Catalog Number | AG01AH5V |
| Chemical Name | 2-[4-(cyanomethoxy)phenyl]acetic acid |
| IUPAC Name | 2-[4-(cyanomethoxy)phenyl]acetic acid |
| InChI | InChI=1S/C10H9NO3/c11-5-6-14-9-3-1-8(2-4-9)7-10(12)13/h1-4H,6-7H2,(H,12,13) |
| InChI Key | FWQBKIUDDJOIFN-UHFFFAOYSA-N |
| MDL Number | MFCD11131694 |
| Molecular Formula | C10H9NO3 |
| Molecular Weight | 191.1834 |
| SMILES | OC(CC1=CC=C(OCC#N)C=C1)=O |
| Synonyms | 2-[4-(cyanomethoxy)phenyl]acetic acid,
1019446-81-1,
SCHEMBL7400264,
ZINC19843624,
AKOS000210687,
MCULE-2571731158,
NE25134,
EN300-73792,
Z227753980,
|
| Complexity | 235 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 191.058g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 191.186g/mol |
| Monoisotopic Mass | 191.058g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 70.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number