| CAS Number | 1363381-89-8 |
| Catalog Number | AG0011PA(AGN-PC-0WBSLN) |
| Chemical Name | 5H-Pyrrolo[2,3-b]pyrazine-2-carboxylic acid, methyl ester |
| IUPAC Name | methyl 5H-pyrrolo[2,3-b]pyrazine-2-carboxylate |
| InChI | InChI=1S/C8H7N3O2/c1-13-8(12)6-4-10-7-5(11-6)2-3-9-7/h2-4H,1H3,(H,9,10) |
| InChI Key | LKYVYGGBGJSMJX-UHFFFAOYSA-N |
| MDL Number | MFCD16658543 |
| Molecular Formula | C8H7N3O2 |
| Molecular Weight | 177.1601 |
| SMILES | O=C(C1=CN=C(NC=C2)C2=N1)OC |
| Synonyms | METHYL 5H-PYRROLO[2,3-B]PYRAZINE-2-CARBOXYLATE,
1363381-89-8,
MFCD16658543,
AKOS025290193,
ZINC206023379,
FCH1147581,
PB36020,
SB20325,
KS-0000076L,
AK172337,
AS-51102,
CS-0048978,
Q-3515,
5H-Pyrrolo[2,3-b]pyrazine-2-carboxylic acid, methyl ester,
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| Complexity | 210 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 177.054g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 177.163g/mol |
| Monoisotopic Mass | 177.054g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 67.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H317
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Packing Group
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Precautionary statements
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P280-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number