| CAS Number | 500866-01-3 |
| Catalog Number | AG019WF2(AGN-PC-0JQC99) |
| Chemical Name | 2-(3-Carbamoylphenoxy)acetic acid |
| IUPAC Name | 2-(3-carbamoylphenoxy)acetic acid |
| InChI | InChI=1S/C9H9NO4/c10-9(13)6-2-1-3-7(4-6)14-5-8(11)12/h1-4H,5H2,(H2,10,13)(H,11,12) |
| InChI Key | DCZLMOYGKHSTTQ-UHFFFAOYSA-N |
| MDL Number | MFCD09943019 |
| Molecular Formula | C9H9NO4 |
| Molecular Weight | 195.1721 |
| NSC Number | 610282 |
| SMILES | NC(C1=CC(OCC(O)=O)=CC=C1)=O |
| Synonyms | 2-(3-carbamoylphenoxy)acetic acid,
500866-01-3,
CHEMBL216601,
methyl 2-(3-carbamoylphenoxy)acetic acid,
NSC610282,
AC1Q4ZB6,
AC1Q5DN1,
AC1L776F,
SCHEMBL9448407,
(3-carbamoylphenoxy)acetic acid,
CTK7J5509,
ZINC1611424,
BDBM50200006,
AKOS000186249,
MCULE-2760925789,
NE45198,
NSC-610282,
EN300-51736,
CID355820,
|
| Complexity | 229 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 195.053g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 195.174g/mol |
| Monoisotopic Mass | 195.053g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 89.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number