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99-26-3 molecular structure
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2,7-dihydroxy-2H-benzo[d]1,3-dioxa-2-bismacyclopentane-5-carboxylic acid

ChemBase ID: 112049
Molecular Formular: C7H5BiO6
Molecular Mass: 394.0914
Monoisotopic Mass: 393.98901088
SMILES and InChIs

SMILES:
O[Bi]1Oc2c(O1)c(O)cc(c2)C(=O)O
Canonical SMILES:
O[Bi]1Oc2c(O1)cc(cc2O)C(=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;+3;/p-3
InChIKey:
JAONZGLTYYUPCT-UHFFFAOYSA-K

Cite this record

CBID:112049 http://www.chembase.cn/molecule-112049.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,7-dihydroxy-2H-benzo[d]1,3-dioxa-2-bismacyclopentane-5-carboxylic acid
IUPAC Traditional name
dermatol
Synonyms
BISMUTH SUBGALLATE
Bismuth gallate, basic
Gallic acid bismuth basic salt
Bismuth subgallate hydrate
碱式没食子酸铋
CAS Number
99-26-3
EC Number
202-742-2
MDL Number
MFCD01632692
PubChem SID
162098126
PubChem CID
16682999
CHEBI ID
31292
ATC CODE
A07BB
Chemspider ID
10607905
Unique Ingredient Identifier
YIW503MI7V
Wikipedia Title
Bismuth_subgallate

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 3.9334743  H Acceptors
H Donor LogD (pH = 5.5) -1.0295808 
LogD (pH = 7.4) -2.7345343  Log P 0.5455 
Molar Refractivity 39.3927 cm3 Polarizability 23.121479 Å3
Polar Surface Area 96.22 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Pharmacology Properties Product Information Bioassay(PubChem)
Density
1.1 g/cm3 expand Show data source
MSDS Link
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TSCA Listed
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Legal Status
OTC (US) expand Show data source
Certificate of Analysis
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DETAILS

DETAILS

MP Biomedicals MP Biomedicals Wikipedia Wikipedia
MP Biomedicals - 05222336 external link
MP Biomedicals Rare Chemical collection

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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