Structure

2-Ethoxy-5-nitro-3H-pyrimidin-4-one

CAS
99968-75-9
Catalog Number
ACM99968759
Category
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What is the molecular formula of 2-Ethoxy-5-nitro-3H-pyrimidin-4-one?

The molecular formula is C6H7N3O4.

When was 2-Ethoxy-5-nitro-3H-pyrimidin-4-one created and modified?

It was created on 2007-12-06 and modified on 2023-12-30.

What is the molecular weight of 2-Ethoxy-5-nitro-3H-pyrimidin-4-one?

The molecular weight is 185.14 g/mol.

What is the IUPAC name of 2-Ethoxy-5-nitro-3H-pyrimidin-4-one?

The IUPAC name is 2-ethoxy-5-nitro-1H-pyrimidin-6-one.

What is the InChI code for 2-Ethoxy-5-nitro-3H-pyrimidin-4-one?

The InChI code is InChI=1S/C6H7N3O4/c1-2-13-6-7-3-4(9(11)12)5(10)8-6/h3H,2H2,1H3,(H,7,8,10).

What is the InChIKey for 2-Ethoxy-5-nitro-3H-pyrimidin-4-one?

The InChIKey is PNLUNWWNZBAHBX-UHFFFAOYSA-N.

How many hydrogen bond donor count does 2-Ethoxy-5-nitro-3H-pyrimidin-4-one have?

It has 1 hydrogen bond donor count.

What is the XLogP3-AA value of 2-Ethoxy-5-nitro-3H-pyrimidin-4-one?

The XLogP3-AA value is 0.1.

How many rotatable bond counts does 2-Ethoxy-5-nitro-3H-pyrimidin-4-one have?

It has 2 rotatable bond counts.

Is 2-Ethoxy-5-nitro-3H-pyrimidin-4-one the canonicalized compound?

Yes, it is the canonicalized compound.

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