CAS 41873-65-8 2-(2-Hydroxyphenyl)acetic acid ethyl ester (HCID 521075)

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Basic information

CAS: 41873-65-8
Standard SMILES: CCOC(=O)Cc1ccccc1O
InChIKey: XTRBBJJVAIWTPL-UHFFFAOYSA-N
Molecular formula: C10H12O3
Average molar mass: 180.2 g/mol
Monoisotopic mass: 180.07864424

Names & identifiers

Preferred name: 2-(2-Hydroxyphenyl)acetic acid ethyl ester
IUPAC: ethyl 2-(2-hydroxyphenyl)acetate
English name: Ethyl 2-hydroxyphenylacetate
Molecular formula: C10H12O3
Molecular weight: 180.2

Names & synonyms

41873-65-8Ethyl (2-hydroxyphenyl)acetate2-(2-Hydroxyphenyl)acetic Acid Ethyl EsterDTXSID60194656F4552GDG26RefChem:1060885DTXCID00117147255-572-6Ethyl 2-(2-hydroxyphenyl)acetateETHYL 2-HYDROXYPHENYLACETATEMFCD09840595Benzeneacetic acid, 2-hydroxy-, ethyl ester

Show more names

2-Hydroxybenzeneacetic acid ethyl ester(2-Hydroxyphenyl)acetic acid ethyl esterBenzeneacetic acid,2-hydroxy-, ethyl ester

EINECS 255-572-6Ethyl2-(2-hydroxyphenyl)acetate2-hydroxy-phenyl-acetic acid ethyl esterMS-20433EN300-2138962-Hydroxy-Benzeneacetic Acid Ethyl EsterUNII-F4552GDG26CHEMBL483073

Database identifiers

CAS: 41873-65-8
PubChem CID: 521075
DTXSID: DTXSID60194656
ChEMBL: CHEMBL483073
UNII: F4552GDG26
EC Number: 255-572-6
Nikkaji: J101.859K

Properties

Computed structural properties

XLogP: 1.5
Topological polar surface area: 46.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 13
Formal charge: 0
Complexity: 168

Physicochemical properties

Melting point: 67 · 67-68 °C
Boiling point: 105 °[email protected] · 105°[email protected].
Density: 1.146 · 1.146±0.06 g/cm3(Predicted)
storage temp.: 2 · Sealed in dry,2-8°C
solubility: Chloroform (Slightly), Ethyl Acetate (Slightly)
form: Off-White to Pale Yellow Semisolid
pka: 9.86 · 9.86±0.30(Predicted)
Appearance: Light yellow to yellow Liquid
Stability: Store in Freezer
InChI: InChI=1S/C10H12O3/c1-2-13-10(12)7-8-5-3-4-6-9(8)11/h3-6,11H,2,7H2,1H3
InChIKey: XTRBBJJVAIWTPL-UHFFFAOYSA-N
SMILES: C1(CC(OCC)=O)=CC=CC=C1O
FDA UNII: 4552 GDG26 · F4552GDG26
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements