 Home > Encyclopedia > 3-carboxy-4-hydroxy-3-(hydroxymethyl)-4-oxobutanoate;2-[2-(5-chloro-2-methyl-1,3-benzodioxol-2-yl)ethoxy]ethyl-diethylazanium

3-carboxy-4-hydroxy-3-(hydroxymethyl)-4-oxobutanoate;2-[2-(5-chloro-2-methyl-1,3-benzodioxol-2-yl)ethoxy]ethyl-diethylazanium

3-carboxy-4-hydroxy-3-(hydroxymethyl)-4-oxobutanoate;2-[2-(5-chloro-2-methyl-1,3-benzodioxol-2-yl)ethoxy]ethyl-diethylazanium structure

CAS No:
100310-86-9
Formula:
C22H32ClNO10
Chemical Name:
3-carboxy-4-hydroxy-3-(hydroxymethyl)-4-oxobutanoate;2-[2-(5-chloro-2-methyl-1,3-benzodioxol-2-yl)ethoxy]ethyl-diethylazanium
Synonyms:
1,3-Benzodioxole, 5-chloro-2-(2-(2-(diethylamino)ethoxy)ethyl)-2-methyl-, citrate;5-Chloro-2-(2-(2-(diethylamino)ethoxy)ethyl)-2-methyl-1,3-benzodioxole citrate

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3-carboxy-4-hydroxy-3-(hydroxymethyl)-4-oxobutanoate;2-[2-(5-chloro-2-methyl-1,3-benzodioxol-2-yl)ethoxy]ethyl-diethylazanium Basic Attributes

Molecular Weight：

505.9 g/mol

Exact Mass：

505.1714739 g/mol

Characteristics

PSA：

167 Å²

Computed Properties

Molecular Weight:505.9
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:12
Exact Mass:505.1714739
Monoisotopic Mass:505.1714739
Topological Polar Surface Area:167
Heavy Atom Count:34
Complexity:538
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes

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Guide of 3-carboxy-4-hydroxy-3-(hydroxymethyl)-4-oxobutanoate;2-[2-(5-chloro-2-methyl-1,3-benzodioxol-2-yl)ethoxy]ethyl-diethylazanium

Basic Attributes
Characteristics
Computed Properties

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