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Structure

Diethyl 1-acetyl-1H-pyrrol-3-yl-3-phosphonate

CAS
942206-35-1
Catalog Number
ACM942206351
Category
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What is the molecular formula of Diethyl 1-acetyl-1H-pyrrol-3-yl-3-phosphonate?

The molecular formula of Diethyl 1-acetyl-1H-pyrrol-3-yl-3-phosphonate is C10H16NO4P.

When was Diethyl 1-acetyl-1H-pyrrol-3-yl-3-phosphonate created and modified according to PubChem?

It was created on 2010-03-15 and modified on 2023-12-30.

What is the IUPAC name of Diethyl 1-acetyl-1H-pyrrol-3-yl-3-phosphonate?

The IUPAC name is 1-(3-diethoxyphosphorylpyrrol-1-yl)ethanone.

What is the InChI of Diethyl 1-acetyl-1H-pyrrol-3-yl-3-phosphonate?

The InChI is InChI=1S/C10H16NO4P/c1-4-14-16(13,15-5-2)10-6-7-11(8-10)9(3)12/h6-8H,4-5H2,1-3H3.

What is the InChIKey of Diethyl 1-acetyl-1H-pyrrol-3-yl-3-phosphonate?

The InChIKey is QHMVQODTMHSJBN-UHFFFAOYSA-N.

How many hydrogen bond donor counts does Diethyl 1-acetyl-1H-pyrrol-3-yl-3-phosphonate have?

It has 0 hydrogen bond donor count.

What is the rotatable bond count of Diethyl 1-acetyl-1H-pyrrol-3-yl-3-phosphonate?

It has 5 rotatable bond count.

What is the exact mass of Diethyl 1-acetyl-1H-pyrrol-3-yl-3-phosphonate?

The exact mass is 245.08169499 g/mol.

What is the topological polar surface area of Diethyl 1-acetyl-1H-pyrrol-3-yl-3-phosphonate?

The topological polar surface area is 57.5 Ų.

Is the compound canonicalized according to PubChem?

Yes, the compound is canonicalized.

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