CAS
93929-51-2 Purity
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93929-51-2 Purity
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3a,4,5,6,6a,7,8,9,9a,9b-Decahydro-4,6,9-trihydroxy-6,9-dimethyl-3-methyleneazuleno[4,5-b]furan-2(3H)-one
CAS
93930-14-4
Catalog Number
ACM93930144
Category
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What is the molecular formula of the compound?
The molecular formula of the compound is C15H22O5.
What is the IUPAC Name of the compound?
The IUPAC Name of the compound is 4,6,9-trihydroxy-6,9-dimethyl-3-methylidene-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-2-one.
What is the molecular weight of the compound?
The molecular weight of the compound is 282.33 g/mol.
What is the InChIKey of the compound?
The InChIKey of the compound is POOWACKONHGRLI-UHFFFAOYSA-N.
What is the Canonical SMILES of the compound?
The Canonical SMILES of the compound is CC1(CCC2C1C3C(C(CC2(C)O)O)C(=C)C(=O)O3).
How many hydrogen bond donor counts does the compound have?
The compound has 3 hydrogen bond donor counts.
How many hydrogen bond acceptor counts does the compound have?
The compound has 5 hydrogen bond acceptor counts.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value of the compound is 0.3.
What is the topological polar surface area of the compound?
The topological polar surface area of the compound is 87.2.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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93936-27-7 Purity
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93936-27-7 Purity
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