99352-94-0 Purity
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Specification
The molecular formula is C9H9NO4.
The molecular weight is 195.17 g/mol.
Some synonyms include 99358-09-5, 7-amino-2,3-dihydro-1,4-benzodioxine-6-carboxylic acid, and 7-Amino-2,3-dihydro-benzo[1,4]dioxine-6-carboxylic acid.
It was created on 2005-08-09.
The IUPAC name is 6-amino-2,3-dihydro-1,4-benzodioxine-7-carboxylic acid.
The InChI is InChI=1S/C9H9NO4/c10-6-4-8-7(13-1-2-14-8)3-5(6)9(11)12/h3-4H,1-2,10H2,(H,11,12).
The InChIKey is HYJPNUZJSIEYGD-UHFFFAOYSA-N.
The Canonical SMILES is C1COC2=C(O1)C=C(C(=C2)N)C(=O)O.
The XLogP3-AA value is 1.
It has 5 hydrogen bond acceptors.
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