4-hydroxyanthraquinone-2-carboxylic acid

4-hydroxyanthraquinone-2-carboxylic acid
Compound Structure:
Synonyms: 4-Hydroxyanthraquinone-2-carboxylic acid, di-TMS;Trimethylsilyl 9,10-dioxo-4-[(trimethylsilyl)oxy]-9,10-dihydro-2-anthracenecarboxylate
Compound ID: NMPC-417
PubChem ID:

633935
Molecular Formula: C21H24O5Si2
Canonical SMILES: C[Si](C)(C)OC1=CC(=CC2=C1C(=O)C3=CC=CC=C3C2=O)C(=O)O[Si](C)(C)C
InChIKey: VEAFWQHWEYEKIA-UHFFFAOYSA-N
About the compound:
Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

412.6 g/mol

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

5

Rotatable Bond Count

5

Exact Mass

412.11622693 g/mol

Monoisotopic Mass

412.11622693 g/mol

Topological Polar Surface Area

69.7Ų

Heavy Atom Count

28

Formal Charge

0

Complexity

648

Isotope Atom Count

0

Defined Atom Stereocenter Count

0

Undefined Atom Stereocenter Count

0

Defined Bond Stereocenter Count

0

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Source: PubChem                                                         
Source Species: Cassia nigricans
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