3-Hydroxy-2,2-bis[[(1-oxoallyl)oxy]methyl]propyl aziridine-1-propionate

CAS

93965-20-9

Catalog Number

ACM93965209

Category

Other Products

Molecular Weight

341.356320 [g/mol]

Molecular Formula

C₁₆H₂₃NO₇

MSDS COA Spec Sheet

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Specification

Synonyms

EINECS 300-969-2, 3-Hydroxy-2,2-bis(((1-oxoallyl)oxy)methyl)propyl aziridine-1-propionate, 93965-20-9

IUPAC Name

[2-(hydroxymethyl)-3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propyl] 3-(aziridin-1-yl)propanoate

Canonical SMILES

C=CC(=O)OCC(CO)(COC(=O)CCN1CC1)COC(=O)C=C

InChI Key

GVBDDZNAFQDZPW-UHFFFAOYSA-N

Boiling Point

476.7ºC at 760mmHg

Flash Point

242.1ºC

Density

1.227g/cm³

EC Number

300-969-2

Exact Mass

341.14700

H-Bond Acceptor

H-Bond Donor

What is the molecular formula of 3-Hydroxy-2,2-bis[[(1-oxoallyl)oxy]methyl]propyl aziridine-1-propionate?

The molecular formula is C16H23NO7.

What is the molecular weight of 3-Hydroxy-2,2-bis[[(1-oxoallyl)oxy]methyl]propyl aziridine-1-propionate?

The molecular weight is 341.36 g/mol.

When was 3-Hydroxy-2,2-bis[[(1-oxoallyl)oxy]methyl]propyl aziridine-1-propionate created and last modified in the database?

It was created on August 20, 2009, and last modified on December 30, 2023.

What is the IUPAC Name of 3-Hydroxy-2,2-bis[[(1-oxoallyl)oxy]methyl]propyl aziridine-1-propionate?

[2-(hydroxymethyl)-3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propyl] 3-(aziridin-1-yl)propanoate.

What is the InChIKey of 3-Hydroxy-2,2-bis[[(1-oxoallyl)oxy]methyl]propyl aziridine-1-propionate?

The InChIKey is GVBDDZNAFQDZPW-UHFFFAOYSA-N.

What is the Canonical SMILES representation of 3-Hydroxy-2,2-bis[[(1-oxoallyl)oxy]methyl]propyl aziridine-1-propionate?

C=CC(=O)OCC(CO)(COC(=O)CCN1CC1)COC(=O)C=C.

How many hydrogen bond acceptor counts does 3-Hydroxy-2,2-bis[[(1-oxoallyl)oxy]methyl]propyl aziridine-1-propionate have?

It has 8 hydrogen bond acceptor counts.

What is the topological polar surface area of 3-Hydroxy-2,2-bis[[(1-oxoallyl)oxy]methyl]propyl aziridine-1-propionate?

The topological polar surface area is 102 Å².

How many rotatable bond counts does 3-Hydroxy-2,2-bis[[(1-oxoallyl)oxy]methyl]propyl aziridine-1-propionate have?

It has 15 rotatable bond counts.

What is the formal charge of 3-Hydroxy-2,2-bis[[(1-oxoallyl)oxy]methyl]propyl aziridine-1-propionate?

The formal charge is 0.