Grundinformationen
- Standard-SMILES
COC(=O)Cc1cccc(O)c1- InChIKey
AMDDOQIUPAINLH-UHFFFAOYSA-N- Summenformel
- C9H10O3
- Durchschnittliche Molmasse
- 166,17 g/mol
- Monoisotopische Masse
- 166,06299418
Namen und Bezeichner
- Bevorzugter Name
- Methyl 3-Hydroxyphenylacetate
- IUPAC
- methyl 2-(3-hydroxyphenyl)acetate
- Englischer Name
- 3-Hydroxyphenylacetic acid methyl ester
- Summenformel
- C9H10O3
- Molmasse
- 166.17
Namen und Synonyme
42058-59-3METHYL 3-HYDROXYPHENYLACETATEDTXSID20194899RefChem:815515DTXCID10117390806-118-6methyl 2-(3-hydroxyphenyl)acetate3-Hydroxyphenylacetic Acid Methyl EsterMethyl 3-hydroxyphenyl acetateMFCD00017660Methyl (3-hydroxyphenyl)acetateBenzeneacetic acid, 3-hydroxy-, methyl ester
Weitere Namen anzeigen
Methyl 2-(3-hydroxyphenyl)Methyl 3-hydroxybenzeneacetateMethyl 2-(3-hydroxyphenyl)acetate 95%2-(3-Hydroxyphenyl)acetic acid methyl ester
Methyl m-hydroxyphenylacetate(3-Hydroxyphenyl)acetic acid methyl esterMethyl2-(3-Hydroxyphenyl)acetate3-hydroxybenzeneacetic acid methyl estermethyl-3-hydroxyphenylacetateSCHEMBL979023methyl 3 -hydroxyphenylacetatemethyl(3-hydroxyphenyl)acetate
Datenbank-Bezeichner
- CAS
42058-59-3- PubChem CID
- 39129
- DTXSID
DTXSID20194899- EC Number
- 806-118-6
- Nikkaji
- J530.807K
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,2
- Polarare Oberfläche (TPSA)
- 46,5 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 12
- Formalladung
- 0
- Komplexität
- 156
Physikochemische Eigenschaften
- Siedepunkt
- 146 °C/14mmHg · 146°C/14mmHg(lit.)
- Dichte
- 1.181 · 1.181±0.06 g/cm3(Predicted)
- Brechungsindex
- 1.534 to · 1.5340 to 1.5380
- storage temp.
- Sealed in dry,Room Temperature
- Löslichkeit
- Chloroform (Slightly), Ethyl Acetate (Slightly)
- Aggregatzustand
- Oil
- pka
- 9.61 · 9.61±0.10(Predicted)
- Farbe
- Clear Colourless to Clear Pale Yellow
Sicherheit und Regulatorisches
Sicherheitsdaten
- hs_code
- 2918290090
- risk_code
- 22
- hazard_code
- Xn
Chemie und Industrie
Anwendungen
VerwendenMethyl 3-Hydroxyphenylacetate is a phenylacetic acid derivative and a CRTH2 and DP dual antagonist.
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