CAS
942308-06-7 Purity
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942308-06-7 Purity
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1-Pyrrolidinecarboxylicacid,4-hydroxy-2-(hydroxymethyl)-,phenylmethyl ester,(2S,4S)-
CAS
942308-58-9
Catalog Number
ACM942308589
Category
Other Products
Molecular Formula
C13H17NO4
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- Synthetic Use
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What is the IUPAC name of the compound with PubChem CID 46863950?
The IUPAC name is (3S,5S)-1-benzyl-5-(hydroxymethyl)pyrrolidin-3-ol.
What is the molecular formula of the compound?
The molecular formula is C12H17NO2.
What is the molecular weight of the compound?
The molecular weight is 207.27 g/mol.
What is the InChI of the compound?
The InChI is InChI=1S/C12H17NO2/c14-9-11-6-12(15)8-13(11)7-10-4-2-1-3-5-10/h1-5,11-12,14-15H,6-9H2/t11-,12-/m0/s1.
What is the InChIKey of the compound?
The InChIKey is JSZNWUQCOLGFNL-RYUDHWBXSA-N.
What is the canonical SMILES of the compound?
The canonical SMILES is C1C(CN(C1CO)CC2=CC=CC=C2)O.
What is the isomeric SMILES of the compound?
The isomeric SMILES is C1[C@@H](CN([C@@H]1CO)CC2=CC=CC=C2)O.
What is the CAS number of the compound?
The CAS number is 942308-58-9.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value is 0.7.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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