2,3-dihydro-1H-indene-1,3-dicarboxylic Acid
Basic information
- CAS
69718-74-7- Standard SMILES
O=C(O)C1CC(C(=O)O)c2ccccc21- InChIKey
MNQNHAXVLUCZMI-UHFFFAOYSA-N- Molecular formula
- C11H10O4
- Average molar mass
- 206.19 g/mol
- Monoisotopic mass
- 206.0579088
Names & identifiers
- Preferred name
- 2,3-dihydro-1H-indene-1,3-dicarboxylic Acid
- IUPAC
- 2,3-dihydro-1H-indene-1,3-dicarboxylic acid
- English name
- 2,3-Dihydro-1H-indene-1,3-dicarboxylic acid
- Molecular formula
- C11H10O4
- Molecular weight
- 206.2
Names & synonyms
2,3-dihydro-1H-indene-1,3-dicarboxylic Acid69718-74-7DTXSID90435645RefChem:244736DTXCID40386471343317-37-3INDAN-1,3-DICARBOXYLIC ACIDSCHEMBL432906DB-3196632,3-dihydro-1H-indene-1,3-dicarboxylicAcid1H-Indene-1,3-dicarboxylic acid, 2,3-dihydro-, cis- (9CI)
Database identifiers
- CAS
69718-74-7- PubChem CID
- 10104419
- DTXSID
DTXSID90435645
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 258
Physicochemical properties
- Boiling point
- 416.4 · 416.4±40.0 °C(Predicted)
- Density
- 1.441 · 1.441±0.06 g/cm3(Predicted)
- pka
- 3.65 · 3.65±0.40(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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