| CAS Number | 1214086-91-5 |
| Catalog Number | AG01B9GQ(AGN-PC-0WCNZV) |
| Chemical Name | 1H,2H,3H,4H-pyrrolo[1,2-a]pyrazine-1-carboxylic acid |
| IUPAC Name | 1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-1-carboxylic acid |
| InChI | InChI=1S/C8H10N2O2/c11-8(12)7-6-2-1-4-10(6)5-3-9-7/h1-2,4,7,9H,3,5H2,(H,11,12) |
| InChI Key | UCOVVOQXWHGWRK-UHFFFAOYSA-N |
| MDL Number | MFCD16653012 |
| Molecular Formula | C8H10N2O2 |
| Molecular Weight | 166.1772 |
| SMILES | OC(C1C2N(C=CC=2)CCN1)=O |
| Synonyms | 1,2,3,4-Tetrahydropyrrolo[1,2-a]pyrazine-1-carboxylic acid,
1214086-91-5,
1H,2H,3H,4H-pyrrolo[1,2-a]pyrazine-1-carboxylic acid,
AKOS005208392,
MCULE-1655969524,
L-4557,
F2147-0158,
|
| Complexity | 196 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 166.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 166.18g/mol |
| Monoisotopic Mass | 166.074g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 54.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number