| CAS Number | 890984-16-4 |
| Catalog Number | AG019M0K |
| Chemical Name | (3-[(Cyclopropylcarbonyl)amino]phenoxy)acetic acid |
| IUPAC Name | 2-[3-(cyclopropanecarbonylamino)phenoxy]acetic acid |
| InChI | InChI=1S/C12H13NO4/c14-11(15)7-17-10-3-1-2-9(6-10)13-12(16)8-4-5-8/h1-3,6,8H,4-5,7H2,(H,13,16)(H,14,15) |
| InChI Key | FWXXKIDBHZJNTO-UHFFFAOYSA-N |
| MDL Number | MFCD07113971 |
| Molecular Formula | C12H13NO4 |
| Molecular Weight | 235.2359 |
| SMILES | OC(COC1=CC(NC(C2CC2)=O)=CC=C1)=O |
| Synonyms | 2-(3-cyclopropaneamidophenoxy)acetic acid,
{3-[(cyclopropylcarbonyl)amino]phenoxy}acetic acid,
890984-16-4,
AC1Q765F,
CTK7J5513,
ZINC9668751,
STK250195,
AKOS003376862,
MCULE-6898511035,
NE40925,
EN300-33625,
Z361993964,
(3-[(cyclopropylcarbonyl)amino]phenoxy)acetic acid,
|
| Complexity | 301 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 235.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 235.239g/mol |
| Monoisotopic Mass | 235.084g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 75.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number