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Structure

Benzoic acid,5-acetyl-2-hydroxy-,methyl ester

CAS
16475-90-4
Catalog Number
ACM16475904
Category
Other Products
Molecular Weight
194.19
Molecular Formula
C10H10O4

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Specification

Synonyms
Methyl 5-acetylsalicylate, 390208_ALDRICH, NSC67867, EINECS 240-532-2, ZINC00157882, ST5405781, Benzoic acid, 5-acetyl-2-hydroxy-, methyl ester, 16475-90-4, InChI=1/C10H10O4/c1-6(11)7-3-4-9(12)8(5-7)10(13)14-2/h3-5,12H,1-2H
IUPAC Name
methyl 5-acetyl-2-hydroxybenzoate
Canonical SMILES
CC(=O)C1=CC(=C(C=C1)O)C(=O)OC
InChI Key
XLSMGNNWSRNTIQ-UHFFFAOYSA-N
Boiling Point
167 °C / 15mmHg
Melting Point
62-64 °C(lit.)
Appearance
white to light yellow-orange crystalline powder
EC Number
240-532-2
Exact Mass
194.05800
Hazard Statements
Xi
H-Bond Acceptor
4
H-Bond Donor
1
Safety Description
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
WGK Germany
3
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