2-Hydroxypropane-1,2,3-tricarboxylic acid--3-(1-butyl-3-propylpyrrolidin-3-yl)phenol (1/1)
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Basic information
- CAS
37627-57-9- Standard SMILES
CCCCN1CCC(CCC)(c2cccc(O)c2)C1.O=C(O)CC(O)(CC(=O)O)C(=O)O- InChIKey
GWMRNMIERPZKMM-UHFFFAOYSA-N- Molecular formula
- C23H35NO8
- Average molar mass
- 453.5 g/mol
- Monoisotopic mass
- 453.23626707
Names & identifiers
- Preferred name
- 2-Hydroxypropane-1,2,3-tricarboxylic acid--3-(1-butyl-3-propylpyrrolidin-3-yl)phenol (1/1)
- IUPAC
- 3-(1-butyl-3-propylpyrrolidin-3-yl)phenol;2-hydroxypropane-1,2,3-tricarboxylic acid
- English name
- Phenol, 3-(1-butyl-3-propyl-3-pyrrolidinyl)-, citrate
- Molecular weight
- 0
Names & synonyms
37627-57-9DTXSID109586692-Hydroxypropane-1,2,3-tricarboxylic acid--3-(1-butyl-3-propylpyrrolidin-3-yl)phenol (1/1)RefChem:1063447DTXCID2013865683-(1-Butyl-3-propyl-3-pyrrolidinyl)phenol citratePhenol, 3-(1-butyl-3-propyl-3-pyrrolidinyl)-, citratePyrrolidine, 1-butyl-3-(m-hydroxyphenyl)-3-propyl-, citrate
Database identifiers
- CAS
37627-57-9- PubChem CID
- 216699
- DTXSID
DTXSID10958669
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 156 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 11
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 495
Physicochemical properties
- EWG's Food Scores
- 1 · 1
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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