| CAS Number | 90347-97-0 |
| Catalog Number | AG00H34F(AGN-PC-0NKDRZ) |
| Chemical Name | Indolizine-1-carboxylic acid |
| IUPAC Name | indolizine-1-carboxylic acid |
| InChI | InChI=1S/C9H7NO2/c11-9(12)7-4-6-10-5-2-1-3-8(7)10/h1-6H,(H,11,12) |
| InChI Key | KAGOEWVNTGUFGW-UHFFFAOYSA-N |
| MDL Number | MFCD13178388 |
| Molecular Formula | C9H7NO2 |
| Molecular Weight | 161.1574 |
| SMILES | O=C(C1=C2C=CC=CN2C=C1)O |
| Synonyms | Indolizine-1-carboxylic acid,
90347-97-0,
1-Indolizinecarboxylic acid,
carboxyindolizine,
SCHEMBL1490768,
KAGOEWVNTGUFGW-UHFFFAOYSA-N,
4156AJ,
ZINC39298403,
AKOS023410730,
AJ-99703,
FT-0749709,
Z-6123,
Z2492774553,
pyrrofolicacid,
C9H7NO2,
88912-57-6,
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| Complexity | 193 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 161.048g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 161.16g/mol |
| Monoisotopic Mass | 161.048g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 41.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number