Meta-Hydroxyphenylhydracrylic acid
Grundinformationen
- CAS
64662-02-8- Standard-SMILES
O=C(O)C(CO)c1cccc(O)c1- InChIKey
DGBMCKWHCNMPPE-UHFFFAOYSA-N- Summenformel
- C9H10O4
- Durchschnittliche Molmasse
- 182,17 g/mol
- Monoisotopische Masse
- 182,0579088
Überblick
Meta-hydroxyphenylhydracrylic acid is a hydroxy monocarboxylic acid that is propionic acid substituted by a hydroxy group at position 3 and a 3-hydroxyphenyl group at position 2. It is a metabolite of flavonoids and has been identified as one of the major phenolic acids in human urine. It has a role as a human xenobiotic metabolite. It is a member of phenols and a hydroxy monocarboxylic acid. It is functionally related to a propionic acid.
Namen und Bezeichner
- Bevorzugter Name
- Meta-Hydroxyphenylhydracrylic acid
- IUPAC
- 3-hydroxy-2-(3-hydroxyphenyl)propanoic acid
Namen und Synonyme
meta-hydroxyphenylhydracrylic acid3-hydroxy-2-(3-hydroxyphenyl)propanoic acidET93YCZ5MJ64662-02-8CHEBI:783363-Hydroxy-alpha-(hydroxymethyl)benzeneacetic acidBenzeneacetic acid, 3-hydroxy-alpha-(hydroxymethyl)-3-HYDROXY-.ALPHA.-(HYDROXYMETHYL)BENZENEACETIC ACIDBENZENEACETIC ACID, 3-HYDROXY-.ALPHA.-(HYDROXYMETHYL)-RefChem:201630starbld0046854UNII-ET93YCZ5MJ
Weitere Namen anzeigen
Meta-hydroxyphenylhydracrylatem-hydroxyphenylhydracrylic acidSCHEMBL4957164SCHEMBL31188945
Datenbank-Bezeichner
- CAS
64662-02-8- PubChem CID
- 22600106
- ChEBI
CHEBI:78336- UNII
- ET93YCZ5MJ
- Nikkaji
- J1.130.397H
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,4
- Polarare Oberfläche (TPSA)
- 77,8 Ų
- H-Brücken-Donoren
- 3
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 13
- Formalladung
- 0
- Komplexität
- 180
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