| CAS Number | 118618-36-3 |
| Catalog Number | AG00HEMV(AGN-PC-0KZZ5M) |
| Chemical Name | Propanoic acid, 2-(4-cyanophenoxy)- |
| IUPAC Name | 2-(4-cyanophenoxy)propanoic acid |
| InChI | InChI=1S/C10H9NO3/c1-7(10(12)13)14-9-4-2-8(6-11)3-5-9/h2-5,7H,1H3,(H,12,13) |
| InChI Key | KXNITAHHTSHYPY-UHFFFAOYSA-N |
| MDL Number | MFCD06655179 |
| Molecular Formula | C10H9NO3 |
| Molecular Weight | 191.1834 |
| SMILES | C(#N)C1=CC=C(OC(C(=O)O)C)C=C1 |
| Synonyms | 2-(4-cyanophenoxy)propanoic Acid,
118618-36-3,
AC1Q2BZS,
AC1MWX41,
SCHEMBL2830293,
CTK6A3452,
HMS1788H19,
MFCD06655179,
AKOS000103378,
AKOS017270172,
Propanoic acid, 2-(4-cyanophenoxy)-,
MCULE-9523498429,
NE49766,
EN300-10887,
Z65534997,
CID3781309,
|
| Complexity | 247 |
| 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 | 3 |
| Topological Polar Surface Area | 70.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number