3,3',3''-(1h-Indene-1,1,3-triyl)tripropanoic acid
Basic information
- CAS
974-60-7- Standard SMILES
O=C(O)CCC1=CC(CCC(=O)O)(CCC(=O)O)c2ccccc21- InChIKey
ZWENHEKKPRSNLT-UHFFFAOYSA-N- Molecular formula
- C18H20O6
- Average molar mass
- 332.3 g/mol
- Monoisotopic mass
- 332.12598835
Names & identifiers
- Preferred name
- 3,3',3''-(1h-Indene-1,1,3-triyl)tripropanoic acid
- IUPAC
- 3-[3,3-bis(2-carboxyethyl)inden-1-yl]propanoic acid
Names & synonyms
974-60-7NSC625683,3',3''-(1h-indene-1,1,3-triyl)tripropanoic acidDTXSID70289643NSC-62568
Database identifiers
- CAS
974-60-7- PubChem CID
- 247608
- DTXSID
DTXSID70289643
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 518
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Compound notes
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