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Structure

Isopropyl alpha-methyl-beta-oxopyrazinepropionate

CAS
93778-22-4
Catalog Number
ACM93778224
Category
Other Products
Molecular Weight
222.240460 [g/mol]
Molecular Formula
C11H14N2O3

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Specification

Synonyms
EINECS 298-157-5, Isopropyl alpha-methyl-beta-oxopyrazinepropionate, 93778-22-4
IUPAC Name
propan-2-yl 2-methyl-3-oxo-3-pyrazin-2-ylpropanoate
Canonical SMILES
CC(C)OC(=O)C(C)C(=O)C1=NC=CN=C1
InChI Key
ZUJXPOANNBUCDQ-UHFFFAOYSA-N
EC Number
298-157-5
Exact Mass
222.10000
H-Bond Acceptor
5
H-Bond Donor
0
What is the molecular formula of Isopropyl alpha-methyl-beta-oxopyrazinepropionate?

The molecular formula is C11H14N2O3.

When was Isopropyl alpha-methyl-beta-oxopyrazinepropionate created in PubChem?

It was created on August 20, 2009.

What is the IUPAC name of Isopropyl alpha-methyl-beta-oxopyrazinepropionate?

The IUPAC name is propan-2-yl 2-methyl-3-oxo-3-pyrazin-2-ylpropanoate.

What is the InChIKey of Isopropyl alpha-methyl-beta-oxopyrazinepropionate?

The InChIKey is ZUJXPOANNBUCDQ-UHFFFAOYSA-N.

What is the Molecular Weight of Isopropyl alpha-methyl-beta-oxopyrazinepropionate?

The Molecular Weight is 222.24 g/mol.

How many Hydrogen Bond Donor Count does Isopropyl alpha-methyl-beta-oxopyrazinepropionate have?

It has 0 Hydrogen Bond Donor Counts.

What is the Topological Polar Surface Area of Isopropyl alpha-methyl-beta-oxopyrazinepropionate?

The Topological Polar Surface Area is 69.2?2.

How many Rotatable Bond Count does Isopropyl alpha-methyl-beta-oxopyrazinepropionate have?

It has 5 Rotatable Bond Count.

Is Isopropyl alpha-methyl-beta-oxopyrazinepropionate a Covalently-Bonded Unit?

Yes, it is a Covalently-Bonded Unit.

Which software was used to compute the XLogP3-AA value of Isopropyl alpha-methyl-beta-oxopyrazinepropionate?

XLogP3 3.0 was used to compute the XLogP3-AA value.

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