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.