CAS
95008-94-9 Purity
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95008-94-9 Purity
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Barium bis[1-(hydroxymethyl)-5-oxo-dl-prolinate]
CAS
95008-97-2
Catalog Number
ACM95008972
Category
Other Products
Molecular Weight
453.591040 [g/mol]
Molecular Formula
C12H16BaN2O8
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Specification
Synonyms
95008-97-2, Barium bis(1-(hydroxymethyl)-5-oxo-DL-prolinate), BARIUM BIS[1-(HYDROXYMETHYL)-5-OXO-DL-PROLINATE], CTK5H7307, EINECS 305-724-3, AG-H-91638
IUPAC Name
barium(2+);1-(hydroxymethyl)-5-oxopyrrolidine-2-carboxylate
InChI Key
GJMYXPBQMBBXGA-UHFFFAOYSA-L
Exact Mass
453.99600
H-Bond Acceptor
8
H-Bond Donor
2
What is the molecular formula of Barium bis[1-(hydroxymethyl)-5-oxo-dl-prolinate]?
The molecular formula is C12H16BaN2O8.
When was Barium bis[1-(hydroxymethyl)-5-oxo-dl-prolinate] created and modified in PubChem?
It was created on August 20, 2009, and last modified on December 30, 2023.
What is the IUPAC Name of Barium bis[1-(hydroxymethyl)-5-oxo-dl-prolinate]?
The IUPAC Name is barium(2+);1-(hydroxymethyl)-5-oxopyrrolidine-2-carboxylate.
What is the Canonical SMILES of Barium bis[1-(hydroxymethyl)-5-oxo-dl-prolinate]?
The Canonical SMILES is C1CC(=O)N(C1C(=O)[O-])CO.C1CC(=O)N(C1C(=O)[O-])CO.[Ba+2].
What is the European Community (EC) Number of Barium bis[1-(hydroxymethyl)-5-oxo-dl-prolinate]?
The EC Number is 305-724-3.
How many Hydrogen Bond Donor Count does Barium bis[1-(hydroxymethyl)-5-oxo-dl-prolinate] have?
It has 2 Hydrogen Bond Donor Counts.
What is the Exact Mass of Barium bis[1-(hydroxymethyl)-5-oxo-dl-prolinate]?
The Exact Mass is 453.995913 g/mol.
How many Rotatable Bond Counts does Barium bis[1-(hydroxymethyl)-5-oxo-dl-prolinate] have?
It has 2 Rotatable Bond Counts.
Is Barium bis[1-(hydroxymethyl)-5-oxo-dl-prolinate] a Canonicalized compound?
Yes, it is Canonicalized.
How many Covalently-Bonded Unit Counts does Barium bis[1-(hydroxymethyl)-5-oxo-dl-prolinate] have?
It has 3 Covalently-Bonded Unit Counts.
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