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

C12H12O4 — CID 142007769

IUPAC3-methyl-2,3-dihydro-1H-indene-1,2-dicarboxylic acid
SMILESCC1c2ccccc2C(C(=O)O)C1C(=O)O
InChIInChI=1S/C12H12O4/c1-6-7-4-2-3-5-8(7)10(12(15)16)9(6)11(13)14/h2-6,9-10H,1H3,(H,13,14)(H,15,16)
InChIKeyWIWXNVJXQLMSAK-UHFFFAOYSA-N
MW220.22 g/mol
LogP1.67
Rot. Bonds2

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

3-methyl-2,3-dihydro-1H-indene-1,2-dicarboxylic acid (PubChem CID 142007769) has the molecular formula C12H12O4 and a molecular weight of 220.22 g/mol. Its IUPAC name is 3-methyl-2,3-dihydro-1H-indene-1,2-dicarboxylic acid.

Molecular Properties

Compound Name3-methyl-2,3-dihydro-1H-indene-1,2-dicarboxylic acid
PubChem CID142007769
Molecular FormulaC12H12O4
Molecular Weight220.22 g/mol
Exact Mass220.07
IUPAC Name3-methyl-2,3-dihydro-1H-indene-1,2-dicarboxylic acid
SMILESCC1c2ccccc2C(C(=O)O)C1C(=O)O
InChIInChI=1S/C12H12O4/c1-6-7-4-2-3-5-8(7)10(12(15)16)9(6)11(13)14/h2-6,9-10H,1H3,(H,13,14)(H,15,16)
InChIKeyWIWXNVJXQLMSAK-UHFFFAOYSA-N
XLogP1.67
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.22
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-methyl-2,3-dihydro-1H-indene-1,2-dicarboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2,3-dihydro-1H-indene-1,2-dicarboxylic acid?
The IUPAC name of 3-methyl-2,3-dihydro-1H-indene-1,2-dicarboxylic acid (CID 142007769) is 3-methyl-2,3-dihydro-1H-indene-1,2-dicarboxylic acid.
What is the SMILES notation for 3-methyl-2,3-dihydro-1H-indene-1,2-dicarboxylic acid?
The canonical SMILES for 3-methyl-2,3-dihydro-1H-indene-1,2-dicarboxylic acid is CC1c2ccccc2C(C(=O)O)C1C(=O)O.
What is the InChIKey of 3-methyl-2,3-dihydro-1H-indene-1,2-dicarboxylic acid?
The InChIKey is WIWXNVJXQLMSAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O4/c1-6-7-4-2-3-5-8(7)10(12(15)16)9(6)11(13)14/h2-6,9-10H,1H3,(H,13,14)(H,15,16).
What are the key properties of 3-methyl-2,3-dihydro-1H-indene-1,2-dicarboxylic acid?
3-methyl-2,3-dihydro-1H-indene-1,2-dicarboxylic acid has a molecular weight of 220.22 g/mol, XLogP of 1.67, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2,3-dihydro-1H-indene-1,2-dicarboxylic acid is sourced from PubChem (CID 142007769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).