CAS
946517-36-8 Purity
96%
946517-36-8 Purity
96%
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1-Benzyl-5-oxo-2-phenyl-pyrrolidine-3-carboxylic acid
CAS
94655-24-0
Catalog Number
ACM94655240
Category
Other Products
Molecular Weight
295.33248
Molecular Formula
C18H17NO3
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Specification
Synonyms
1-BENZYL-5-OXO-2-PHENYL-PYRROLIDINE-3-CARBOXYLIC ACID;5-OXO-2-PHENYL-1-(PHENYLMETHYL)-3-PYRROLIDINECARBOXYLIC ACID
What is the molecular formula of the compound?
The molecular formula is C18H17NO3.
What is the molecular weight of the compound?
The molecular weight is 295.3 g/mol.
What is the IUPAC name of the compound?
The IUPAC name is 1-benzyl-5-oxo-2-phenylpyrrolidine-3-carboxylic acid.
What is the InChI of the compound?
The InChI is InChI=1S/C18H17NO3/c20-16-11-15(18(21)22)17(14-9-5-2-6-10-14)19(16)12-13-7-3-1-4-8-13/h1-10,15,17H,11-12H2,(H,21,22).
What is the InChIKey of the compound?
The InChIKey is DKXRDFRRCPUUKU-UHFFFAOYSA-N.
What is the Canonical SMILES of the compound?
The Canonical SMILES is C1C(C(N(C1=O)CC2=CC=CC=C2)C3=CC=CC=C3)C(=O)O.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value is 2.
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 3 hydrogen bond acceptor counts.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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