| CAS Number | 1150098-39-7 |
| Catalog Number | AG0095P4 |
| Chemical Name | 7-CHLORO-5-OXO-1,2,3,5-TETRAHYDROINDOLIZINE-8-CARBOXYLIC ACID |
| IUPAC Name | 7-chloro-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylic acid |
| InChI | InChI=1S/C9H8ClNO3/c10-5-4-7(12)11-3-1-2-6(11)8(5)9(13)14/h4H,1-3H2,(H,13,14) |
| InChI Key | BLFBEBOCEPNCRD-UHFFFAOYSA-N |
| MDL Number | MFCD18711541 |
| Molecular Formula | C9H8ClNO3 |
| Molecular Weight | 213.6177 |
| SMILES | O=C(C1=C2CCCN2C(C=C1Cl)=O)O |
| Synonyms | 7-CHLORO-5-OXO-1,2,3,5-TETRAHYDROINDOLIZINE-8-CARBOXYLIC ACID,
1150098-39-7,
SCHEMBL693438,
DTXSID60695092,
BLFBEBOCEPNCRD-UHFFFAOYSA-N,
MFCD18711541,
ZINC66054867,
7-Chloro-1,2,3,5-tetrahydro-5-oxoindolizine-8-carboxylic acid,
7-chloro-5-oxo-1,2,3,5-tetrahydro-indolizine-8-carboxylic acid,
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| Complexity | 384 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 213.019g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 213.617g/mol |
| Monoisotopic Mass | 213.019g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 57.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number