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The molecular formula of 4-Methoxy-1,3-benzenediol 3-Acetate is C9H10O4.
The molecular weight of 4-Methoxy-1,3-benzenediol 3-Acetate is 182.17 g/mol.
The IUPAC name of 4-Methoxy-1,3-benzenediol 3-Acetate is (5-hydroxy-2-methoxyphenyl) acetate.
The InChI of 4-Methoxy-1,3-benzenediol 3-Acetate is InChI=1S/C9H10O4/c1-6(10)13-9-5-7(11)3-4-8(9)12-2/h3-5,11H,1-2H3.
The InChIKey of 4-Methoxy-1,3-benzenediol 3-Acetate is HQRTWUHDOCDAJQ-UHFFFAOYSA-N.
The canonical SMILES of 4-Methoxy-1,3-benzenediol 3-Acetate is CC(=O)OC1=C(C=CC(=C1)O)OC.
The CAS number of 4-Methoxy-1,3-benzenediol 3-Acetate is 99179-72-3.
The hydrogen bond donor count of 4-Methoxy-1,3-benzenediol 3-Acetate is 1.
The hydrogen bond acceptor count of 4-Methoxy-1,3-benzenediol 3-Acetate is 4.
Yes, 4-Methoxy-1,3-benzenediol 3-Acetate is canonicalized.
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