CAS
904814-72-8 Purity
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904814-72-8 Purity
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4-(2-Carboxy-6-nitro-phenyl)-piperazine-1-carboxylic acid tertier-butyl ester
CAS
904814-87-5
Catalog Number
ACM904814875
Category
Other Products
Molecular Weight
351.35
Molecular Formula
C16H21N3O6
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Specification
Synonyms
4-(2-CARBOXY-6-NITRO-PHENYL)-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER;4-(2-CARBOXY-6-NITRO-PHENYL)-PIPERAZINE-1-CARBOXYLIC ACID TERTIER-BUTYL ESTER
What is the molecular formula of the compound in the reference?
The molecular formula is C16H21N3O6.
What is the molecular weight of the compound?
The molecular weight is 351.35 g/mol.
What is the IUPAC name of the compound?
The IUPAC name is 2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-3-nitrobenzoic acid.
What is the InChIKey of the compound?
The InChIKey is DBHWLMWTRSFATJ-UHFFFAOYSA-N.
How many hydrogen bond donor counts does the compound have?
The compound has 1 hydrogen bond donor count.
How many hydrogen bond acceptor counts does the compound have?
The compound has 7 hydrogen bond acceptor counts.
What is the topological polar surface area of the compound?
The topological polar surface area is 116 Å2.
How many rotatable bond counts does the compound have?
The compound has 4 rotatable bond counts.
Is the compound canonicalized?
Yes, the compound is canonicalized.
When was the compound last modified in the database?
The compound was last modified on December 30, 2023.
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