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CAS Number: 34265-55-9
ethyl 5-hydroxy-2-methylbenzoate

Structure

ethyl 5-hydroxy-2-methylbenzoate
Name: ethyl 5-hydroxy-2-methylbenzoate
Synonyms:
General Information
Product Number: 34265559
CAS Registry Number: 34265-55-9
Name:
        Benzoic acid, 5-​hydroxy-​2-​methyl-​, ethyl ester
        5,​2-​Cresotic acid, ethyl ester (8CI); 3-​Carboethoxy-​4-​methylphenol; Ethyl 5-​hydroxy-​2-​methylbenzoate 
 
Chemical Formula: C10H12O3
Exact Mass: 180.08
Molecular Weight: 180.20
m/z: 180.08 (100.0%), 181.08 (11.1%)
Elemental Analysis: C, 66.65; H, 6.71; O, 26.64
 
InChI: InChI=1S/C22H24FNO3/c1-26-20-6-7-21-17(13-20)12-16(15-27-21)14-24-10-8-22(25,9-11-24)18-2-4-19(23)5-3-18/h2-7,12-13,25H,8-11,14-15H2,1H3
InChIKey: KNWMVURKSJSTRH-UHFFFAOYSA-N
Canonical SMILES : COC1=CC2=C(C=C1)OCC(=C2)CN3CCC(CC3)(C4=CC=C(C=C4)F)O

Specification

98%

References

PCT Int. Appl. (2014), WO 2014019979 A1 20140206.                                 

PCT Int. Appl. (2009), WO 2009150119 A1 20091217.

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