| CAS Number | 869942-82-5 |
| Catalog Number | AG004HD7(AGN-PC-0WB3PX) |
| Chemical Name | 3-(2-Amino-2-oxoethoxy)benzoic acid |
| IUPAC Name | 3-(2-amino-2-oxoethoxy)benzoic acid |
| InChI | InChI=1S/C9H9NO4/c10-8(11)5-14-7-3-1-2-6(4-7)9(12)13/h1-4H,5H2,(H2,10,11)(H,12,13) |
| InChI Key | IEVCYNDPZXZQBM-UHFFFAOYSA-N |
| MDL Number | MFCD04580891 |
| Molecular Formula | C9H9NO4 |
| Molecular Weight | 195.1721 |
| SMILES | NC(COC1=CC(C(O)=O)=CC=C1)=O |
| Synonyms | 3-(2-amino-2-oxoethoxy)benzoic acid,
869942-82-5,
3-(carbamoylmethoxy)benzoic Acid,
AC1LITJ7,
AC1Q4ZPW,
SCHEMBL12168943,
CTK5F7533,
DTXSID10359399,
ZINC571352,
MFCD04580891,
AKOS000103174,
MCULE-1908941662,
AJ-23567,
RT-008300,
EN300-30687,
Y-1399,
3- benzoicacid,
CID961591,
|
| 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
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number