2,4-Dimethylpyrrole-3-carboxylic acid

• CAS: 17106-13-7
• Catalog Number: ACM17106137
• Category: Main Products
• Molecular Weight: 139.15
• Molecular Formula: C₇H₉NO₂
• Synonyms: 2,4-Dimethylpyrrole-3-carboxylicacid; 2,4-Dimethyl-1H-Pyrrole-3-carboxylic acid
• IUPAC Name: 2,4-dimethyl-1H-pyrrole-3-carboxylicacid
• Canonical SMILES: CC1=CNC(=C1C(=O)O)C
• InChI Key: XBPJVSRTTKVMEN-UHFFFAOYSA-N
• Boiling Point: 232.7ºC at 760 mmHg
• Flash Point: 94.5ºC
• Density: 1.225 g/cm³
• Appearance: brown to light brown crystalline powder
• Exact Mass: 139.06300

Custom Q&A

What is the molecular formula of 2,4-Dimethylpyrrole-3-carboxylic acid?

The molecular formula of 2,4-Dimethylpyrrole-3-carboxylic acid is C7H9NO2.

What are the synonyms for 2,4-Dimethylpyrrole-3-carboxylic acid?

The synonyms for 2,4-Dimethylpyrrole-3-carboxylic acid include:
2,4-DIMETHYLPYRROLE-3-CARBOXYLIC ACID
2,4-dimethyl-1H-pyrrole-3-carboxylic Acid
2,4-Dimethylpyrrole-3-carboxylicacid
1H-Pyrrole-3-carboxylic acid, 2,4-dimethyl-
CHEMBL4646068
SCHEMBL1082810
DTXSID90388521
XBPJVSRTTKVMEN-UHFFFAOYSA-N
BDBM50543170
MFCD09750426
AKOS006328575
CS-W007083
SB62260
AC-30618
AS-62652
A3770
FT-0648436
D77678
2,4-Dimethyl-1H-pyrrole-3-carboxylic acid, AldrichCPR

What is the InChI of 2,4-Dimethylpyrrole-3-carboxylic acid?

The InChI of 2,4-Dimethylpyrrole-3-carboxylic acid is "InChI=1S/C7H9NO2/c1-4-3-8-5(2)6(4)7(9)10/h3,8H,1-2H3,(H,9,10)."

What is the InChIKey of 2,4-Dimethylpyrrole-3-carboxylic acid?

The InChIKey of 2,4-Dimethylpyrrole-3-carboxylic acid is "XBPJVSRTTKVMEN-UHFFFAOYSA-N."

What is the canonical SMILES of 2,4-Dimethylpyrrole-3-carboxylic acid?

The canonical SMILES of 2,4-Dimethylpyrrole-3-carboxylic acid is "CC1=CNC(=C1C(=O)O)C."

What is the CAS number of 2,4-Dimethylpyrrole-3-carboxylic acid?

The CAS number of 2,4-Dimethylpyrrole-3-carboxylic acid is 17106-13-7.

What is the molecular weight of 2,4-Dimethylpyrrole-3-carboxylic acid?

The molecular weight of 2,4-Dimethylpyrrole-3-carboxylic acid is 139.15g/mol.

How many hydrogen bond donor counts does 2,4-Dimethylpyrrole-3-carboxylic acid have?

2,4-Dimethylpyrrole-3-carboxylic acid has 2 hydrogen bond donor counts.

How many hydrogen bond acceptor counts does 2,4-Dimethylpyrrole-3-carboxylic acid have?

2,4-Dimethylpyrrole-3-carboxylic acid has 2 hydrogen bond acceptor counts.

What is the topological polar surface area of 2,4-Dimethylpyrrole-3-carboxylic acid?

The topological polar surface area of 2,4-Dimethylpyrrole-3-carboxylic acid is 53.1Ų.

Synthetic Use

Downstream Synthesis Route 1

• 17106-13-7
• 67-66-3

• 2199-59-9

Reference: [1] Justus Liebigs Annalen der Chemie, 1958, vol. 619, p. 80,90

Downstream Synthesis Route 2

• 17106-13-7
• 68-12-2

• 2199-59-9

Reference: [1] Rend. Accad. Bologna, 1956, vol. <11> 3, p. 16,23

Downstream Synthesis Route 3

• 17106-13-7

• 356068-93-4

Reference: [1] Patent: WO2010/1167, 2010, A2, . Location in patent: Page/Page column 49-50

Downstream Synthesis Route 4

• 17106-13-7
• 108-24-7

• 1500-93-2

Reference: [1]Magnanini
[Chemische Berichte, 1888, vol. 21, p. 2877][Chemische Berichte, 1889, vol. 22, p. 35]

* For details of the synthesis route, please refer to the original source to ensure accuracy.