| CAS Number | 1094370-49-6 |
| Catalog Number | AG00IOJN(AGN-PC-0WARRW) |
| Chemical Name | 2-(4-hydroxyphenoxy)-N-(propan-2-yl)propanamide |
| IUPAC Name | 2-(4-hydroxyphenoxy)-N-propan-2-ylpropanamide |
| InChI | InChI=1S/C12H17NO3/c1-8(2)13-12(15)9(3)16-11-6-4-10(14)5-7-11/h4-9,14H,1-3H3,(H,13,15) |
| InChI Key | QZHSYLWUHSOFJG-UHFFFAOYSA-N |
| MDL Number | MFCD11181693 |
| Molecular Formula | C12H17NO3 |
| Molecular Weight | 223.2683 |
| SMILES | O=C(NC(C)C)C(OC1(=CC=C(O)C=C1))C |
| Synonyms | 2-(4-hydroxyphenoxy)-N-(propan-2-yl)propanamide,
1094370-49-6,
KS-00001TXM,
ZX-RL003276,
MFCD11181693,
AKOS009316225,
MCULE-6507434824,
OR310018,
BC4179406,
2-(4-hydroxyphenoxy)-N-isopropylpropanamide,
1R-0802,
|
| Complexity | 222 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 223.121g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 223.272g/mol |
| Monoisotopic Mass | 223.121g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 58.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number