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Structure

[(2,2,8-Trimethyl-4H-1,3-dioxino[4,5-c]pyridin-5-yl)methyl]hydrogen succinate

CAS
94108-52-8
Catalog Number
ACM94108528
Category
Other Products
Molecular Weight
309.314460 [g/mol]
Molecular Formula
C15H19NO6

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Specification

Synonyms
EINECS 302-393-7, ((2,2,8-Trimethyl-4H-1,3-dioxino(4,5-c)pyridin-5-yl)methyl) hydrogen succinate, 94108-52-8
IUPAC Name
4-oxo-4-[(2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridin-5-yl)methoxy]butanoic acid
InChI Key
QXAWEIDCMROCDU-UHFFFAOYSA-N
Boiling Point
471.3ºC at 760 mmHg
Flash Point
238.8ºC
Density
1.253g/cm³
Exact Mass
309.12100
H-Bond Acceptor
7
H-Bond Donor
1
What is the molecular formula of [(2,2,8-Trimethyl-4H-1,3-dioxino[4,5-c]pyridin-5-yl)methyl]hydrogen succinate?

The molecular formula is C15H19NO6.

What is the molecular weight of [(2,2,8-Trimethyl-4H-1,3-dioxino[4,5-c]pyridin-5-yl)methyl]hydrogen succinate?

The molecular weight is 309.31 g/mol.

What are some synonyms for [(2,2,8-Trimethyl-4H-1,3-dioxino[4,5-c]pyridin-5-yl)methyl]hydrogen succinate?

Synonyms include BE9ATZ7VUW and UNII-BE9ATZ7VUW.

What is the InChIKey for [(2,2,8-Trimethyl-4H-1,3-dioxino[4,5-c]pyridin-5-yl)methyl]hydrogen succinate?

The InChIKey is QXAWEIDCMROCDU-UHFFFAOYSA-N.

What is the canonical SMILES representation of [(2,2,8-Trimethyl-4H-1,3-dioxino[4,5-c]pyridin-5-yl)methyl]hydrogen succinate?

The canonical SMILES is CC1=NC=C(C2=C1OC(OC2)(C)C)COC(=O)CCC(=O)O.

What is the CAS number for [(2,2,8-Trimethyl-4H-1,3-dioxino[4,5-c]pyridin-5-yl)methyl]hydrogen succinate?

The CAS number is 94108-52-8.

What is the XLogP3-AA value for [(2,2,8-Trimethyl-4H-1,3-dioxino[4,5-c]pyridin-5-yl)methyl]hydrogen succinate?

The XLogP3-AA value is 0.5.

How many hydrogen bond acceptors does [(2,2,8-Trimethyl-4H-1,3-dioxino[4,5-c]pyridin-5-yl)methyl]hydrogen succinate have?

It has 7 hydrogen bond acceptors.

What is the topological polar surface area of [(2,2,8-Trimethyl-4H-1,3-dioxino[4,5-c]pyridin-5-yl)methyl]hydrogen succinate?

The topological polar surface area is 95.2.

How many covalently-bonded units are present in [(2,2,8-Trimethyl-4H-1,3-dioxino[4,5-c]pyridin-5-yl)methyl]hydrogen succinate?

There is 1 covalently-bonded unit in the compound.

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