| CAS Number | 23362-56-3 |
| Catalog Number | AG01A3D4 |
| Chemical Name | 2-(2-Carbamoylphenyl)acetic acid |
| IUPAC Name | 2-(2-carbamoylphenyl)acetic acid |
| InChI | InChI=1S/C9H9NO3/c10-9(13)7-4-2-1-3-6(7)5-8(11)12/h1-4H,5H2,(H2,10,13)(H,11,12) |
| InChI Key | PFWJWJJACBUZDS-UHFFFAOYSA-N |
| MDL Number | MFCD04090393 |
| Molecular Formula | C9H9NO3 |
| Molecular Weight | 179.1727 |
| SMILES | C(N)(=O)C1=C(C=CC=C1)CC(=O)O |
| Synonyms | 2-(2-carbamoylphenyl)acetic acid,
23362-56-3,
homophthalamic,
AC1LGEES,
AN-584/42118736,
SCHEMBL18716529,
ZINC335975,
SBB089525,
[2-(aminocarbonyl)phenyl]acetic acid,
AKOS006344534,
NE27774,
Z1924086866,
CID819927,
|
| Complexity | 215 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 179.058g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 179.175g/mol |
| Monoisotopic Mass | 179.058g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 80.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number