CAS
98931-06-7 Purity
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98931-06-7 Purity
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Dimethyl (2S,4R)-piperidine-2,4-dicarboxylate
CAS
98935-65-0
Catalog Number
ACM98935650
Category
Other Products
Molecular Weight
201.221
Molecular Formula
C9H15NO4
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Specification
Synonyms
98935-65-0, AKOS015949345, RP09446, FT-0684999, Dimethyl (2S,4R)-piperidine-2,4-dicarboxylate, 2,4-dimethyl (2S,4R)-piperidine-2,4-dicarboxylate
IUPAC Name
dimethyl (2S,4R)-piperidine-2,4-dicarboxylate
Canonical SMILES
COC(=O)C1CCNC(C1)C(=O)OC
InChI Key
GDJHLIFSMMYQEN-RQJHMYQMSA-N
Exact Mass
201.10000
H-Bond Acceptor
5
H-Bond Donor
1
What is the molecular formula of Dimethyl (2S,4R)-piperidine-2,4-dicarboxylate?
The molecular formula is C9H15NO4.
What is the IUPAC name of Dimethyl (2S,4R)-piperidine-2,4-dicarboxylate?
The IUPAC name is dimethyl (2S,4R)-piperidine-2,4-dicarboxylate.
What is the InChI of Dimethyl (2S,4R)-piperidine-2,4-dicarboxylate?
The InChI is InChI=1S/C9H15NO4/c1-13-8(11)6-3-4-10-7(5-6)9(12)14-2/h6-7,10H,3-5H2,1-2H3/t6-,7+/m1/s1.
What is the InChIKey of Dimethyl (2S,4R)-piperidine-2,4-dicarboxylate?
The InChIKey is GDJHLIFSMMYQEN-RQJHMYQMSA-N.
What is the canonical SMILES of Dimethyl (2S,4R)-piperidine-2,4-dicarboxylate?
The canonical SMILES is COC(=O)C1CCNC(C1)C(=O)OC.
What is the isomeric SMILES of Dimethyl (2S,4R)-piperidine-2,4-dicarboxylate?
The isomeric SMILES is COC(=O)[C@@H]1CCN[C@@H](C1)C(=O)OC.
What is the CAS number of Dimethyl (2S,4R)-piperidine-2,4-dicarboxylate?
The CAS number is 98935-65-0.
What is the molecular weight of Dimethyl (2S,4R)-piperidine-2,4-dicarboxylate?
The molecular weight is 201.22 g/mol.
How many hydrogen bond donor counts does Dimethyl (2S,4R)-piperidine-2,4-dicarboxylate have?
It has 1 hydrogen bond donor count.
How many rotatable bond counts does Dimethyl (2S,4R)-piperidine-2,4-dicarboxylate have?
It has 4 rotatable bond counts.
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CAS
98937-00-9 Purity
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98937-00-9 Purity
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