CAS
91480-97-6 Purity
96%
91480-97-6 Purity
96%
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[4-Acetyl-2-(4-hydroxy-3-methoxyphenyl)-5-methyl-1H-pyrrol-3-yl]azaniumchloride
CAS
91481-26-4
Catalog Number
ACM91481264
Category
Other Products
Molecular Weight
296.749 g/mol
Molecular Formula
C14H17ClN2O3
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Specification
Synonyms
CID56252, LS-67122, Ketone, (4-amino-5-(4-hydroxy-3-methoxyphenyl)-2-methylpyrrol-3-yl) methyl, hydrochloride, Ethanone, 1-(4-amino-5-(4-hydroxy-3-methoxyphenyl)-2-methyl-1H-pyrrol-3-yl)-, monohydrochloride, ETHANONE, 1-(4-AMINO-5-(4-HYDROXY-3-METHOXYPHENYL)-2-METHYL-1H-PYRROL-3-YL)-, MO, 91481-26-4
IUPAC Name
[4-acetyl-2-(4-hydroxy-3-methoxyphenyl)-5-methyl-1H-pyrrol-3-yl]azanium chloride
SMILES
CC1=C(C(=C(N1)C2=CC(=C(C=C2)O)OC)[NH₃+])C(=O)C.[Cl-]
InChI Key
FMLGNOWNHGNDLF-UHFFFAOYSA-N
Boiling Point
468ºC at 760mmHg
Flash Point
236.9ºC
Exact Mass
296.09300
H-Bond Acceptor
4
H-Bond Donor
3
What is the molecular formula of the compound referred to in the PubChem CID 56252 reference?
The molecular formula is C14H17ClN2O3.
What is the molecular weight of the compound?
The molecular weight is 296.75 g/mol.
What are some synonyms for the compound?
Some synonyms include 91481-26-4, Ethanone, and [4-Acetyl-2-(4-hydroxy-3-methoxyphenyl)-5-methyl-1H-pyrrol-3-yl]azaniumchloride.
What is the IUPAC name of the compound?
The IUPAC name is [4-acetyl-2-(4-hydroxy-3-methoxyphenyl)-5-methyl-1H-pyrrol-3-yl]azaniumchloride.
What is the InChIKey of the compound?
The InChIKey is FMLGNOWNHGNDLF-UHFFFAOYSA-N.
How many hydrogen bond donor counts are there in the compound?
There are 3 hydrogen bond donor counts.
How many hydrogen bond acceptor counts are in the compound?
There are 4 hydrogen bond acceptor counts.
What is the topological polar surface area of the compound?
The topological polar surface area is 90.2.
How many rotatable bond counts are there in the compound?
There are 3 rotatable bond counts.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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