CAS
99260-66-9 Purity
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99260-66-9 Purity
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Bismuth(III) gallate basic hydrate
CAS
99-26-3
Catalog Number
ACM99263
Category
Other Products
Molecular Weight
395.099g/mol
Molecular Formula
C7H6BiO6;
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Specification
Synonyms
1,3,2-Benzodioxabismole-5-carboxylic acid, 2,7-dihydroxy-; SCHEMBL7892; bismuth gallate; CAS-99-26-3; CHEBI:31292; Tox21_112388; Bismuth 3,4,5-trihydroxybenzoate, basic; bismuthgattatlba-sic; CTK3I7218; bismuthsubgarate;
IUPAC Name
4-hydroxy-1,3,2λ2-benzodioxabismole-6-carboxylic acid;hydrate;
Canonical SMILES
C1=C(C=C(C2=C1O[Bi]O2)O)C(=O)O.O;
InChI
InChI=1S/C7H6O5.Bi.H₂O/c8-4-1-3(7(11)12)2-5(9)6(4)10;;/h1-2,8-10H,(H,11,12);;1H2/q;+2;/p-2;
InChI Key
XXCBNHDMGIZPQF-UHFFFAOYSA-L;
Complexity
222
Covalently-Bonded Unit Count
2
EC Number
202-742-2
Exact Mass
394.997g/mol
H-Bond Acceptor
6
H-Bond Donor
3
Heavy Atom Count
14
Monoisotopic Mass
394.997g/mol
Rotatable Bond Count
1
Topological Polar Surface Area
77A^2
What is the molecular formula of Bismuth(III) gallate basic hydrate?
The molecular formula of Bismuth(III) gallate basic hydrate is C7H8BiO7.
What is the molecular weight of Bismuth(III) gallate basic hydrate?
The molecular weight of Bismuth(III) gallate basic hydrate is 413.11 g/mol.
What is the InChI of Bismuth(III) gallate basic hydrate?
The InChI of Bismuth(III) gallate basic hydrate is InChI=1S/C7H6O5.Bi.2H2O/c8-4-1-3(7(11)12)2-5(9)6(4)10;;;/h1-2,8-10H,(H,11,12);;2*1H2/q;+2;;/p-2.
What is the InChIKey of Bismuth(III) gallate basic hydrate?
The InChIKey of Bismuth(III) gallate basic hydrate is QYRZNUWUKYCZNU-UHFFFAOYSA-L.
What is the Canonical SMILES of Bismuth(III) gallate basic hydrate?
The Canonical SMILES of Bismuth(III) gallate basic hydrate is C1=C(C=C2C(=C1O)O[Bi]O2)C(=O)O.O.O.
How many hydrogen bond donor counts does Bismuth(III) gallate basic hydrate have?
Bismuth(III) gallate basic hydrate has 4 hydrogen bond donor counts.
How many hydrogen bond acceptor counts does Bismuth(III) gallate basic hydrate have?
Bismuth(III) gallate basic hydrate has 7 hydrogen bond acceptor counts.
How many rotatable bond counts does Bismuth(III) gallate basic hydrate have?
Bismuth(III) gallate basic hydrate has 1 rotatable bond count.
What is the exact mass of Bismuth(III) gallate basic hydrate?
The exact mass of Bismuth(III) gallate basic hydrate is 413.00740 g/mol.
Is Bismuth(III) gallate basic hydrate a canonicalized compound?
Yes, Bismuth(III) gallate basic hydrate is a canonicalized compound.
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