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Structure

(+)-2,6-Diacetyl-1,7,9-trihydroxy-8,9b-dimethyldibenzofuran-3(9bh)-one,monosodium salt

CAS
97889-91-3
Catalog Number
ACM97889913
Category
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What is the molecular formula of the compound?

The molecular formula of the compound is C18H15NaO7.

What is the molecular weight of the compound?

The molecular weight of the compound is 366.3 g/mol.

What are the synonyms of the compound?

The synonyms of the compound are EINECS 308-170-0 and 97889-91-3 (+)-2,6-Diacetyl-1,7,9-trihydroxy-8,9b-dimethyldibenzofuran-3(9bh)-one, monosodium salt.

When was the compound created?

The compound was created on February 5, 2008.

What is the Canonical SMILES of the compound?

The Canonical SMILES of the compound is CC1=C(C(=C2C(=C1[O-])C3(C(=CC(=C(C3=O)C(=O)C)O)O2)C)C(=O)C)O.[Na+].

What is the InChIKey of the compound?

The InChIKey of the compound is RIDMFEXHWJXRLI-UHFFFAOYSA-M.

How many hydrogen bond donor counts are there in the compound?

There are 2 hydrogen bond donor counts in the compound.

What is the exact mass of the compound?

The exact mass of the compound is 366.07154710 g/mol.

How many rotatable bond counts are there in the compound?

There are 2 rotatable bond counts in the compound.

Is the compound canonicalized?

Yes, the compound is canonicalized.

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