| CAS Number | 926258-53-9 |
| Catalog Number | AG019V1L |
| Chemical Name | ethyl 3-(1-formyl-2-methylindolizin-3-yl)propanoate |
| IUPAC Name | ethyl 3-(1-formyl-2-methylindolizin-3-yl)propanoate |
| InChI | InChI=1S/C15H17NO3/c1-3-19-15(18)8-7-13-11(2)12(10-17)14-6-4-5-9-16(13)14/h4-6,9-10H,3,7-8H2,1-2H3 |
| InChI Key | XIGJMUZGPDMEOX-UHFFFAOYSA-N |
| MDL Number | MFCD06660861 |
| Molecular Formula | C15H17NO3 |
| Molecular Weight | 259.3004 |
| SMILES | CCOC(CCC1N2C(C=CC=C2)=C(C=O)C=1C)=O |
| Synonyms | ethyl 3-(1-formyl-2-methylindolizin-3-yl)propanoate,
926258-53-9,
CTK6F8622,
ZINC21948493,
AKOS000122702,
MCULE-5207361518,
NE30345,
EN300-43472,
3-Indolizinepropanoic acid, 1-formyl-2-methyl-, ethyl ester,
AC1Q34RA,
|
| Complexity | 331 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 259.120843g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 259.3g/mol |
| Monoisotopic Mass | 259.120843g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 47.8Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number