furan-2,5-dicarboxylic acid;indigane

C6H7InO5 — CID 174700126

IUPACfuran-2,5-dicarboxylic acid;indigane
SMILESO=C(O)c1ccc(C(=O)O)o1.[InH3]
InChIInChI=1S/C6H4O5.In.3H/c7-5(8)3-1-2-4(11-3)6(9)10;;;;/h1-2H,(H,7,8)(H,9,10);;;;
InChIKeyXUDASEMQIYKUEW-UHFFFAOYSA-N
MW273.94 g/mol
LogP-0.51
Rot. Bonds2

About furan-2,5-dicarboxylic acid;indigane

furan-2,5-dicarboxylic acid;indigane (PubChem CID 174700126) has the molecular formula C6H7InO5 and a molecular weight of 273.94 g/mol. Its IUPAC name is furan-2,5-dicarboxylic acid;indigane.

Molecular Properties

Compound Namefuran-2,5-dicarboxylic acid;indigane
PubChem CID174700126
Molecular FormulaC6H7InO5
Molecular Weight273.94 g/mol
Exact Mass273.93
IUPAC Namefuran-2,5-dicarboxylic acid;indigane
SMILESO=C(O)c1ccc(C(=O)O)o1.[InH3]
InChIInChI=1S/C6H4O5.In.3H/c7-5(8)3-1-2-4(11-3)6(9)10;;;;/h1-2H,(H,7,8)(H,9,10);;;;
InChIKeyXUDASEMQIYKUEW-UHFFFAOYSA-N
XLogP-0.51
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.94
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

carbon dioxide;furan-2,5-dicarboxylic acid
CID 174931528
benzene-1,4-diamine;furan-2,5-dicarboxylic acid
CID 160946255
5-carboxyfuran-2-olate
CID 145013315
dimethyl furan-2,5-dicarboxylate;furan-2,5-dicarboxylic acid
CID 141444077
furan-2-carboxylic acid;furan-2,5-dicarboxylic acid
CID 158946082
5-methoxycarbonylfuran-2-carboxylic acid
CID 11435181
benzene-1,3-diamine;furan-2,5-dicarboxylic acid
CID 175422690
5-(2,2-dimethylpropanoyl)furan-2-carboxylic acid
CID 84720708
5-(5-chlorofuran-2-carbonyl)furan-2-carboxylic acid
CID 106946887
bis(5-carboxyfuran-2-yl)iodanium
CID 139729150
5-trimethylgermylfuran-2-carboxylic acid
CID 13199575
5-[2-[5-[2-(5-carboxyfuran-2-carbonyl)oxyethoxycarbonyl]furan-2-carbonyl]oxyethoxycarbonyl]furan-2-carboxylic acid;ethane
CID 145318532

Frequently Asked Questions

What is the IUPAC name of furan-2,5-dicarboxylic acid;indigane?
The IUPAC name of furan-2,5-dicarboxylic acid;indigane (CID 174700126) is furan-2,5-dicarboxylic acid;indigane.
What is the SMILES notation for furan-2,5-dicarboxylic acid;indigane?
The canonical SMILES for furan-2,5-dicarboxylic acid;indigane is O=C(O)c1ccc(C(=O)O)o1.[InH3].
What is the InChIKey of furan-2,5-dicarboxylic acid;indigane?
The InChIKey is XUDASEMQIYKUEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4O5.In.3H/c7-5(8)3-1-2-4(11-3)6(9)10;;;;/h1-2H,(H,7,8)(H,9,10);;;;.
What are the key properties of furan-2,5-dicarboxylic acid;indigane?
furan-2,5-dicarboxylic acid;indigane has a molecular weight of 273.94 g/mol, XLogP of -0.51, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2,5-dicarboxylic acid;indigane is sourced from PubChem (CID 174700126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).