CAS
920274-04-0 Purity
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920274-04-0 Purity
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Benzoic acid,2-(2,5-dimethyl-1H-pyrrol-1-yl)-
CAS
92028-57-4
Catalog Number
ACM92028574
Category
Other Products
Molecular Weight
215.25
Molecular Formula
C13H13NO2
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Specification
Synonyms
2-(2,5-DIMETHYL-1H-PYRROL-1-YL)BENZOIC ACID;2-(2,5-DIMETHYL-PYRROL-1-YL)-BENZOIC ACID;ASISCHEM N62061;CHEMBRDG-BB 5959185;2-(2,5-Dimethyl-1H-pyrrol-1-yl)benzoic acid 97%
What is the molecular formula of Benzoic acid, 2-(2,5-dimethyl-1H-pyrrol-1-yl)?
The molecular formula is C13H13NO2.
What is the molecular weight of Benzoic acid, 2-(2,5-dimethyl-1H-pyrrol-1-yl)?
The molecular weight is 215.25 g/mol.
What is the IUPAC name of Benzoic acid, 2-(2,5-dimethyl-1H-pyrrol-1-yl)?
The IUPAC name is 2-(2,5-dimethylpyrrol-1-yl)benzoic acid.
What is the InChI of Benzoic acid, 2-(2,5-dimethyl-1H-pyrrol-1-yl)?
The InChI is InChI=1S/C13H13NO2/c1-9-7-8-10(2)14(9)12-6-4-3-5-11(12)13(15)16/h3-8H,1-2H3,(H,15,16).
What is the InChIKey of Benzoic acid, 2-(2,5-dimethyl-1H-pyrrol-1-yl)?
The InChIKey is ZLYUUANOICYAAL-UHFFFAOYSA-N.
How many hydrogen bond donor counts does Benzoic acid, 2-(2,5-dimethyl-1H-pyrrol-1-yl) have?
It has 1 hydrogen bond donor count.
What is the topological polar surface area of Benzoic acid, 2-(2,5-dimethyl-1H-pyrrol-1-yl)?
The topological polar surface area is 42.2 Ų.
Is Benzoic acid, 2-(2,5-dimethyl-1H-pyrrol-1-yl) a canonicalized compound?
Yes, the compound is canonicalized.
What is the exact mass of Benzoic acid, 2-(2,5-dimethyl-1H-pyrrol-1-yl)?
The exact mass is 215.094628657 g/mol.
How many rotatable bond counts does Benzoic acid, 2-(2,5-dimethyl-1H-pyrrol-1-yl) have?
It has 2 rotatable bond counts.
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