CAS
952182-03-5 Purity
96%
952182-03-5 Purity
96%
![Pyrrolo[3,4-c]pyrazole-5(1H)-carboxylicacid,3-amino-3a,4,6,6a-tetrahydro-,1,1-dimethylethyl ester](https://resource.alfa-chemistry.com/structure/952182-06-8.gif)
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Methyl 5-nitro-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
CAS
952182-17-1
Catalog Number
ACM952182171
Category
Other Products
Molecular Weight
221.17
Molecular Formula
[N+](=O)(c1cc2c(nc1)NC(=C2)C(=O)OC)[O-]
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Specification
Synonyms
Methyl 5-nitro-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
What is the molecular formula of the compound?
The molecular formula of the compound is C9H7N3O4.
When was the compound created in PubChem?
The compound was created in PubChem on May 30, 2009.
What is the InChIKey of the compound?
The InChIKey of the compound is WWCIKRATXUMSLS-UHFFFAOYSA-N.
How many hydrogen bond acceptor counts does the compound have?
The compound has 5 hydrogen bond acceptor counts.
What is the exact mass of the compound?
The exact mass of the compound is 221.04365571 g/mol.
Is the compound canonicalized?
Yes, the compound is canonicalized.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value of the compound is 1.3.
How many rotatable bond counts does the compound have?
The compound has 2 rotatable bond counts.
What is the topological polar surface area of the compound?
The topological polar surface area of the compound is 101 Ų.
How many defined atom stereocenter counts does the compound have?
The compound has 0 defined atom stereocenter counts.
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952182-05-7 Purity
96%
952182-05-7 Purity
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952182-20-6 Purity
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952182-20-6 Purity
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CAS
952182-23-9 Purity
96%
952182-23-9 Purity
96%
