spiro[1,2-dihydroindene-3,3'-1H-indene]-2',2'-dicarboxylic acid

C19H16O4 — CID 67860142

IUPACspiro[1,2-dihydroindene-3,3'-1H-indene]-2',2'-dicarboxylic acid
SMILESO=C(O)C1(C(=O)O)Cc2ccccc2C12CCc1ccccc12
InChIInChI=1S/C19H16O4/c20-16(21)19(17(22)23)11-13-6-2-4-8-15(13)18(19)10-9-12-5-1-3-7-14(12)18/h1-8H,9-11H2,(H,20,21)(H,22,23)
InChIKeyMAFRUIHDXGANKO-UHFFFAOYSA-N
MW308.33 g/mol
LogP2.63
Rot. Bonds2

About spiro[1,2-dihydroindene-3,3'-1H-indene]-2',2'-dicarboxylic acid

spiro[1,2-dihydroindene-3,3'-1H-indene]-2',2'-dicarboxylic acid (PubChem CID 67860142) has the molecular formula C19H16O4 and a molecular weight of 308.33 g/mol. Its IUPAC name is spiro[1,2-dihydroindene-3,3'-1H-indene]-2',2'-dicarboxylic acid.

Molecular Properties

Compound Namespiro[1,2-dihydroindene-3,3'-1H-indene]-2',2'-dicarboxylic acid
PubChem CID67860142
Molecular FormulaC19H16O4
Molecular Weight308.33 g/mol
Exact Mass308.10
IUPAC Namespiro[1,2-dihydroindene-3,3'-1H-indene]-2',2'-dicarboxylic acid
SMILESO=C(O)C1(C(=O)O)Cc2ccccc2C12CCc1ccccc12
InChIInChI=1S/C19H16O4/c20-16(21)19(17(22)23)11-13-6-2-4-8-15(13)18(19)10-9-12-5-1-3-7-14(12)18/h1-8H,9-11H2,(H,20,21)(H,22,23)
InChIKeyMAFRUIHDXGANKO-UHFFFAOYSA-N
XLogP2.63
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(1S)-1-methyl-2,3-dihydroindene-1-carboxylic acid
CID 124509477
1-(dimethylamino)-2,3-dihydroindene-1-carboxylic acid;hydrochloride
CID 50988473
2-hydroxytricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-2-carboxylic acid
CID 44720486
(1S)-1-chloro-3,4-dihydro-2H-naphthalene-1-carboxylic acid
CID 67733183
1-anilino-2,3-dihydroindene-1-carboxylic acid
CID 12740130
1-methylsulfanyl-2,3-dihydroindene-1-carboxylic acid
CID 82235218
1-methoxy-2,3-dihydroindene-1-carboxylic acid
CID 22367227
spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylic acid
CID 66954084
2-amino-3,4-dihydro-1H-naphthalene-2-carboxylic acid;hydrate
CID 91886239
(7R)-7-benzylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxylic acid
CID 125469336
1-[(2-methylpropan-2-yl)oxy]-3,4-dihydro-2H-naphthalene-1-carboxylic acid
CID 114989948
1-(3-hydroxypropyl)-2,3-dihydroindene-1-carboxylic acid
CID 79429175

Frequently Asked Questions

What is the IUPAC name of spiro[1,2-dihydroindene-3,3'-1H-indene]-2',2'-dicarboxylic acid?
The IUPAC name of spiro[1,2-dihydroindene-3,3'-1H-indene]-2',2'-dicarboxylic acid (CID 67860142) is spiro[1,2-dihydroindene-3,3'-1H-indene]-2',2'-dicarboxylic acid.
What is the SMILES notation for spiro[1,2-dihydroindene-3,3'-1H-indene]-2',2'-dicarboxylic acid?
The canonical SMILES for spiro[1,2-dihydroindene-3,3'-1H-indene]-2',2'-dicarboxylic acid is O=C(O)C1(C(=O)O)Cc2ccccc2C12CCc1ccccc12.
What is the InChIKey of spiro[1,2-dihydroindene-3,3'-1H-indene]-2',2'-dicarboxylic acid?
The InChIKey is MAFRUIHDXGANKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O4/c20-16(21)19(17(22)23)11-13-6-2-4-8-15(13)18(19)10-9-12-5-1-3-7-14(12)18/h1-8H,9-11H2,(H,20,21)(H,22,23).
What are the key properties of spiro[1,2-dihydroindene-3,3'-1H-indene]-2',2'-dicarboxylic acid?
spiro[1,2-dihydroindene-3,3'-1H-indene]-2',2'-dicarboxylic acid has a molecular weight of 308.33 g/mol, XLogP of 2.63, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[1,2-dihydroindene-3,3'-1H-indene]-2',2'-dicarboxylic acid is sourced from PubChem (CID 67860142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).