| CAS Number | 1178442-98-2 |
| Catalog Number | AG01A3C2 |
| Chemical Name | 2-amino-5-(2,3-dihydro-1H-indol-1-yl)benzoic acid |
| IUPAC Name | 2-amino-5-(2,3-dihydroindol-1-yl)benzoic acid |
| InChI | InChI=1S/C15H14N2O2/c16-13-6-5-11(9-12(13)15(18)19)17-8-7-10-3-1-2-4-14(10)17/h1-6,9H,7-8,16H2,(H,18,19) |
| InChI Key | HPTTUHKADZTQGC-UHFFFAOYSA-N |
| MDL Number | MFCD12845815 |
| Molecular Formula | C15H14N2O2 |
| Molecular Weight | 254.2839 |
| SMILES | NC1=C(C(O)=O)C=C(N2C3=C(C=CC=C3)CC2)C=C1 |
| Synonyms | 2-amino-5-(2,3-dihydro-1H-indol-1-yl)benzoic acid,
1178442-98-2,
ZINC37930566,
AKOS005794878,
MCULE-9239249611,
NE51151,
Z1695921743,
|
| Complexity | 347 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 254.106g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 254.289g/mol |
| Monoisotopic Mass | 254.106g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 66.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number