| CAS Number | 1573548-32-9 |
| Catalog Number | AG01BGOO |
| Chemical Name | 2-(4-acetamido-1H-indol-1-yl)acetic acid |
| IUPAC Name | 2-(4-acetamidoindol-1-yl)acetic acid |
| InChI | InChI=1S/C12H12N2O3/c1-8(15)13-10-3-2-4-11-9(10)5-6-14(11)7-12(16)17/h2-6H,7H2,1H3,(H,13,15)(H,16,17) |
| InChI Key | VPHYPSQYMVEFCA-UHFFFAOYSA-N |
| MDL Number | MFCD26523113 |
| Molecular Formula | C12H12N2O3 |
| Molecular Weight | 232.2353 |
| SMILES | CC(NC1=C2C(N(C=C2)CC(O)=O)=CC=C1)=O |
| Synonyms | 2-(4-acetamido-1H-indol-1-yl)acetic acid,
1573548-32-9,
[4-(acetylamino)-1H-indol-1-yl]acetic acid,
BBL033463,
STL373355,
ZINC96113708,
AKOS025248135,
MCULE-4772082449,
|
| Complexity | 319 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 232.085g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 232.239g/mol |
| Monoisotopic Mass | 232.085g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 71.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number