CID 175172345

C8H5O4Si — CID 175172345

IUPAC—
SMILESO=C(O)c1ccc([Si])cc1C(=O)O
InChIInChI=1S/C8H5O4Si/c9-7(10)5-2-1-4(13)3-6(5)8(11)12/h1-3H,(H,9,10)(H,11,12)
InChIKeyMSMRGJIHMRNABH-UHFFFAOYSA-N
MW193.21 g/mol
LogP-0.12
Rot. Bonds2

About CID 175172345

CID 175172345 (PubChem CID 175172345) has the molecular formula C8H5O4Si and a molecular weight of 193.21 g/mol.

Molecular Properties

Compound NameCID 175172345
PubChem CID175172345
Molecular FormulaC8H5O4Si
Molecular Weight193.21 g/mol
Exact Mass193.00
IUPAC Name—
SMILESO=C(O)c1ccc([Si])cc1C(=O)O
InChIInChI=1S/C8H5O4Si/c9-7(10)5-2-1-4(13)3-6(5)8(11)12/h1-3H,(H,9,10)(H,11,12)
InChIKeyMSMRGJIHMRNABH-UHFFFAOYSA-N
XLogP-0.12
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

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benzene-1,2,4,5-tetracarboxylic acid;ethene
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potassium;benzene-1,2,4,5-tetracarboxylic acid;hydride
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benzene-1,2,4-tricarboxylic acid;dihydrate
CID 70292833
4-hydroxyphthalic acid;hydrate
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4-[4-(3,4-dicarboxyphenyl)sulfonylphenyl]sulfonylphthalic acid
CID 13050202
4-[2-(3,4-dicarboxyphenyl)-1,1,2,2-tetrafluoroethyl]phthalic acid
CID 118000585
4-sulfophthalic acid;trihydrochloride
CID 173375578
4-[2-(3,4-dicarboxyphenyl)ethynyl]phthalic acid
CID 146344853
dilithium;hydride;phthalic acid
CID 173011412
4-carbonochloridoylphthalic acid
CID 15105982

Frequently Asked Questions

What is the IUPAC name of CID 175172345?
The IUPAC name of CID 175172345 (CID 175172345) is not available.
What is the SMILES notation for CID 175172345?
The canonical SMILES for CID 175172345 is O=C(O)c1ccc([Si])cc1C(=O)O.
What is the InChIKey of CID 175172345?
The InChIKey is MSMRGJIHMRNABH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5O4Si/c9-7(10)5-2-1-4(13)3-6(5)8(11)12/h1-3H,(H,9,10)(H,11,12).
What are the key properties of CID 175172345?
CID 175172345 has a molecular weight of 193.21 g/mol, XLogP of -0.12, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175172345 is sourced from PubChem (CID 175172345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).