2,3-dihydro-1H-indene-1,3-dicarboxylic acid

C11H10O4 — CID 10104419

IUPAC2,3-dihydro-1H-indene-1,3-dicarboxylic acid
SMILESO=C(O)C1CC(C(=O)O)c2ccccc21
InChIInChI=1S/C11H10O4/c12-10(13)8-5-9(11(14)15)7-4-2-1-3-6(7)8/h1-4,8-9H,5H2,(H,12,13)(H,14,15)
InChIKeyMNQNHAXVLUCZMI-UHFFFAOYSA-N
MW206.20 g/mol
LogP1.43
Rot. Bonds2

About 2,3-dihydro-1H-indene-1,3-dicarboxylic acid

2,3-dihydro-1H-indene-1,3-dicarboxylic acid (PubChem CID 10104419) has the molecular formula C11H10O4 and a molecular weight of 206.20 g/mol. Its IUPAC name is 2,3-dihydro-1H-indene-1,3-dicarboxylic acid.

Molecular Properties

Compound Name2,3-dihydro-1H-indene-1,3-dicarboxylic acid
PubChem CID10104419
Molecular FormulaC11H10O4
Molecular Weight206.20 g/mol
Exact Mass206.06
IUPAC Name2,3-dihydro-1H-indene-1,3-dicarboxylic acid
SMILESO=C(O)C1CC(C(=O)O)c2ccccc21
InChIInChI=1S/C11H10O4/c12-10(13)8-5-9(11(14)15)7-4-2-1-3-6(7)8/h1-4,8-9H,5H2,(H,12,13)(H,14,15)
InChIKeyMNQNHAXVLUCZMI-UHFFFAOYSA-N
XLogP1.43
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-indene-1,3-dicarboxylic acid?
The IUPAC name of 2,3-dihydro-1H-indene-1,3-dicarboxylic acid (CID 10104419) is 2,3-dihydro-1H-indene-1,3-dicarboxylic acid.
What is the SMILES notation for 2,3-dihydro-1H-indene-1,3-dicarboxylic acid?
The canonical SMILES for 2,3-dihydro-1H-indene-1,3-dicarboxylic acid is O=C(O)C1CC(C(=O)O)c2ccccc21.
What is the InChIKey of 2,3-dihydro-1H-indene-1,3-dicarboxylic acid?
The InChIKey is MNQNHAXVLUCZMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O4/c12-10(13)8-5-9(11(14)15)7-4-2-1-3-6(7)8/h1-4,8-9H,5H2,(H,12,13)(H,14,15).
What are the key properties of 2,3-dihydro-1H-indene-1,3-dicarboxylic acid?
2,3-dihydro-1H-indene-1,3-dicarboxylic acid has a molecular weight of 206.20 g/mol, XLogP of 1.43, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-indene-1,3-dicarboxylic acid is sourced from PubChem (CID 10104419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).