CAS
958-96-3 Purity
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958-96-3 Purity
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Methyl 6-oxopiperidine-3-carboxylate
CAS
958991-06-5
Catalog Number
ACM958991065
Category
Other Products
Molecular Weight
157.168
Molecular Formula
C7H11NO3
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Specification
Synonyms
methyl 6-oxopiperidine-3-carboxylate, 958991-06-5, AC1LC1WO, Piperidin-2-one-5-carboxylic acid, methyl ester, SureCN8262495, CTK5H8310, MolPort-020-233-884, ANW-48592, RW3210, AKOS015909561, AG-L-60381, PB22855, QC-1907, RP08885, AK-50275, BR-50275, FT-0684886, W9779, C-8826, I14-31816
IUPAC Name
methyl 6-oxopiperidine-3-carboxylate
Canonical SMILES
COC(=O)C1CCC(=O)NC1
InChI Key
YORUFIOEZHJAEZ-UHFFFAOYSA-N
Exact Mass
157.07400
H-Bond Acceptor
3
H-Bond Donor
1
What is the molecular formula of Methyl 6-oxopiperidine-3-carboxylate?
The molecular formula of Methyl 6-oxopiperidine-3-carboxylate is C7H11NO3.
What is the molecular weight of Methyl 6-oxopiperidine-3-carboxylate?
The molecular weight of Methyl 6-oxopiperidine-3-carboxylate is 157.17 g/mol.
What is the IUPAC name of Methyl 6-oxopiperidine-3-carboxylate?
The IUPAC name of Methyl 6-oxopiperidine-3-carboxylate is methyl 6-oxopiperidine-3-carboxylate.
What is the InChI of Methyl 6-oxopiperidine-3-carboxylate?
The InChI of Methyl 6-oxopiperidine-3-carboxylate is InChI=1S/C7H11NO3/c1-11-7(10)5-2-3-6(9)8-4-5/h5H,2-4H2,1H3,(H,8,9).
What is the InChIKey of Methyl 6-oxopiperidine-3-carboxylate?
The InChIKey of Methyl 6-oxopiperidine-3-carboxylate is YORUFIOEZHJAEZ-UHFFFAOYSA-N.
What is the Canonical SMILES of Methyl 6-oxopiperidine-3-carboxylate?
The Canonical SMILES of Methyl 6-oxopiperidine-3-carboxylate is COC(=O)C1CCC(=O)NC1.
How many hydrogen bond donor counts does Methyl 6-oxopiperidine-3-carboxylate have?
Methyl 6-oxopiperidine-3-carboxylate has 1 hydrogen bond donor count.
What is the topological polar surface area of Methyl 6-oxopiperidine-3-carboxylate?
The topological polar surface area of Methyl 6-oxopiperidine-3-carboxylate is 55.4 Ų.
How many defined atom stereocenter counts does Methyl 6-oxopiperidine-3-carboxylate have?
Methyl 6-oxopiperidine-3-carboxylate has 0 defined atom stereocenter counts.
Is the compound of Methyl 6-oxopiperidine-3-carboxylate canonicalized?
Yes, the compound of Methyl 6-oxopiperidine-3-carboxylate is canonicalized.
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