2,3-dihydro-1H-indene-4,5-dicarboxylic acid

C11H10O4 — CID 22035348

IUPAC2,3-dihydro-1H-indene-4,5-dicarboxylic acid
SMILESO=C(O)c1ccc2c(c1C(=O)O)CCC2
InChIInChI=1S/C11H10O4/c12-10(13)8-5-4-6-2-1-3-7(6)9(8)11(14)15/h4-5H,1-3H2,(H,12,13)(H,14,15)
InChIKeyDALXKVYCELRTIS-UHFFFAOYSA-N
MW206.20 g/mol
LogP1.57
Rot. Bonds2

About 2,3-dihydro-1H-indene-4,5-dicarboxylic acid

2,3-dihydro-1H-indene-4,5-dicarboxylic acid (PubChem CID 22035348) has the molecular formula C11H10O4 and a molecular weight of 206.20 g/mol. Its IUPAC name is 2,3-dihydro-1H-indene-4,5-dicarboxylic acid.

Molecular Properties

Compound Name2,3-dihydro-1H-indene-4,5-dicarboxylic acid
PubChem CID22035348
Molecular FormulaC11H10O4
Molecular Weight206.20 g/mol
Exact Mass206.06
IUPAC Name2,3-dihydro-1H-indene-4,5-dicarboxylic acid
SMILESO=C(O)c1ccc2c(c1C(=O)O)CCC2
InChIInChI=1S/C11H10O4/c12-10(13)8-5-4-6-2-1-3-7(6)9(8)11(14)15/h4-5H,1-3H2,(H,12,13)(H,14,15)
InChIKeyDALXKVYCELRTIS-UHFFFAOYSA-N
XLogP1.57
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 ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid
CID 22993784
2,3-dihydro-1H-indene-4,7-dicarboxylic acid;terephthalic acid
CID 69347798
1-(5-methyl-2,3-dihydro-1H-inden-4-yl)ethanone
CID 13406383
4-(2-carboxyphenyl)-2,3-dihydro-1H-indene-5-carboxylic acid
CID 66647245
benzene-1,2,3,4-tetracarboxylic acid;titanium
CID 162026487
benzene-1,2,3,4-tetracarboxylic acid;molecular hydrogen
CID 173173883
4-acetylbenzene-1,2,3-tricarboxylic acid
CID 57156687
tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene-6-carboxylic acid
CID 13281341
1,2,3,6,7,8,9,10-octahydrocyclohepta[e]indene-4-carboxylic acid
CID 71370155
6,7-dihydro-5H-cyclopenta[c]pyridine-1-carboxylic acid
CID 83669226
1,2,3,4-tetrahydroquinoline-5,8-dicarboxylic acid
CID 58753408
1-(4-fluoro-2,3-dihydro-1H-inden-5-yl)-2-(methylamino)ethanone
CID 117295815

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-indene-4,5-dicarboxylic acid?
The IUPAC name of 2,3-dihydro-1H-indene-4,5-dicarboxylic acid (CID 22035348) is 2,3-dihydro-1H-indene-4,5-dicarboxylic acid.
What is the SMILES notation for 2,3-dihydro-1H-indene-4,5-dicarboxylic acid?
The canonical SMILES for 2,3-dihydro-1H-indene-4,5-dicarboxylic acid is O=C(O)c1ccc2c(c1C(=O)O)CCC2.
What is the InChIKey of 2,3-dihydro-1H-indene-4,5-dicarboxylic acid?
The InChIKey is DALXKVYCELRTIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O4/c12-10(13)8-5-4-6-2-1-3-7(6)9(8)11(14)15/h4-5H,1-3H2,(H,12,13)(H,14,15).
What are the key properties of 2,3-dihydro-1H-indene-4,5-dicarboxylic acid?
2,3-dihydro-1H-indene-4,5-dicarboxylic acid has a molecular weight of 206.20 g/mol, XLogP of 1.57, 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-4,5-dicarboxylic acid is sourced from PubChem (CID 22035348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).