CAS
93841-54-4 Purity
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93841-54-4 Purity
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9-Hydroxy-1,2,5,6-tetramethyl-6H-pyrido[4,3-b]carbazolium acetate
CAS
93841-59-9
Catalog Number
ACM93841599
Category
Other Products
Molecular Weight
352.426860 [g/mol]
Molecular Formula
C21H24N2O3
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Specification
Synonyms
93841-59-9, EINECS 299-029-1, 9-hydroxy-1,2,5,6-tetramethyl-6H-pyrido[4,3-b]carbazoliumacetate
IUPAC Name
1,2,5,6-tetramethyl-5a,6-dihydropyrido[4,3-b]carbazol-6-ium-9-ol;acetate
Canonical SMILES
CC1=C2C=CN(C(=C2C=C3C1[NH+](C4=C3C=C(C=C4)O)C)C)C.CC(=O)[O-]
InChI Key
WUORXDFERZVQDT-UHFFFAOYSA-N
EC Number
299-029-1
H-Bond Acceptor
4
H-Bond Donor
2
What is the molecular formula of 9-Hydroxy-1,2,5,6-tetramethyl-6H-pyrido[4,3-b]carbazolium acetate?
The molecular formula is C21H24N2O3.
What is the molecular weight of this compound?
The molecular weight is 352.4 g/mol.
When was this compound created in PubChem?
It was created on August 20, 2009.
What is the IUPAC Name of this compound?
The IUPAC Name is 1,2,5,6-tetramethyl-5a,6-dihydropyrido[4,3-b]carbazol-6-ium-9-ol; acetate.
What is the InChIKey of this compound?
The InChIKey is WUORXDFERZVQDT-UHFFFAOYSA-N.
How many hydrogen bond donor counts are present in this compound?
There are 2 hydrogen bond donor counts.
What is the hydrogen bond acceptor count in this compound?
The hydrogen bond acceptor count is 4.
How many rotatable bond counts are there in this compound?
There are 0 rotatable bond counts.
What is the topological polar surface area of this compound?
The topological polar surface area is 68 Ų.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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