CAS
4177-16-6 Purity
97%
4177-16-6 Purity
97%
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Specification
The molecular formula is C6H7N3O2.
It was created on 2005-03-26 and last modified on 2023-12-30.
The IUPAC name is 3-amino-6-methylpyrazine-2-carboxylic acid.
The InChIKey is ZQDYILWQCQIWFL-UHFFFAOYSA-N.
The Canonical SMILES is CC1=CN=C(C(=N1)C(=O)O)N.
The molecular weight is 153.14 g/mol.
The compound has 2 hydrogen bond donor counts.
The topological polar surface area is 89.1 Å2.
The compound has 1 rotatable bond count.
Yes, the compound is canonicalized.