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Structure

Mono-Methyl Glutarate

CAS
1501-27-5
Catalog Number
ACM1501275
Category
Other Products
Molecular Weight
146.14
Molecular Formula
C6H10O4

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Specification

Synonyms
Methyl hydrogen glutrate
IUPAC Name
5-Methoxy-5-oxopentanoic acid
Canonical SMILES
COC(=O)CCCC(=O)O
InChI
InChI=1S/C6H10O4/c1-10-6(9)4-2-3-5(7)8/h2-4H2,1H3,(H,7,8)
InChI Key
IBMRTYCHDPMBFN-UHFFFAOYSA-N
Boiling Point
150-151 °C/10 mmHg(lit.)
Flash Point
>230 °F
Density
1.169 g/mL at 25 °C(lit.)
Solubility
Slightly soluble in water
Appearance
Clear liquid
Storage
Sealed in dry, room temperature
Complexity
130
Exact Mass
146.05790880
Monoisotopic Mass
146.05790880
pKa
4.62±0.10(Predicted)
Refractive Index
n20/D 1.438(lit.)
Topological Polar Surface Area
63.6 Ų
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