| CAS Number | 363590-49-2 |
| Catalog Number | AG00CXHZ |
| Chemical Name | tert-butyl 2-(3-formyl-1H-indol-1-yl)acetate |
| IUPAC Name | tert-butyl 2-(3-formylindol-1-yl)acetate |
| InChI | InChI=1S/C15H17NO3/c1-15(2,3)19-14(18)9-16-8-11(10-17)12-6-4-5-7-13(12)16/h4-8,10H,9H2,1-3H3 |
| InChI Key | PYDAMJBHZPOYTH-UHFFFAOYSA-N |
| MDL Number | MFCD00437028 |
| Molecular Formula | C15H17NO3 |
| Molecular Weight | 259.3004 |
| SMILES | CC(OC(CN1C2=C(C=CC=C2)C(C=O)=C1)=O)(C)C |
| Synonyms | 363590-49-2,
1H-Indole-1-acetic acid, 3-formyl-, 1,1-dimethylethyl ester,
AC1LJ0T9,
Oprea1_114381,
SCHEMBL8598898,
ZINC500337,
STL308363,
AKOS000101341,
MCULE-6634618393,
tert-butyl 2-(3-formylindol-1-yl)acetate,
tert-butyl (3-formyl-1H-indol-1-yl)acetate,
tert-butyl 2-(3-formyl-1H-indol-1-yl)acetate,
SR-01000195435,
SR-01000195435-1,
C15H17NO3,
CID914916,
ZINC00500337,
|
| Complexity | 348 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 259.121g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 259.305g/mol |
| Monoisotopic Mass | 259.121g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 48.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number