CAS
94200-56-3 Purity
96%
94200-56-3 Purity
96%
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(Morpholinomethylene)bisphosphonic acid,potassium salt
CAS
94200-62-1
Catalog Number
ACM94200621
Category
Other Products
Molecular Weight
413.468184 [g/mol]
Molecular Formula
C5H9K4NO7P2
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Specification
Synonyms
EINECS 303-540-8, (Morpholinomethylene)bisphosphonic acid, potassium salt, 94200-62-1
IUPAC Name
tetrapotassium;[morpholin-4-yl(phosphonato)methyl]-dioxido-oxo-$l^{5}-phosphane
Canonical SMILES
C1COCCN1C(P(=O)([O-])[O-])P(=O)([O-])[O-].[K+].[K+].[K+].[K+]
InChI Key
FZSVLCXDIWIGSL-UHFFFAOYSA-J
EC Number
303-540-8
Exact Mass
412.84000
H-Bond Acceptor
8
H-Bond Donor
0
What is the molecular formula of (Morpholinomethylene)bisphosphonic acid, potassium salt?
The molecular formula is C5H9K4NO7P2.
What is the molecular weight of (Morpholinomethylene)bisphosphonic acid, potassium salt?
The molecular weight is 413.47 g/mol.
What is the IUPAC name of the compound?
The IUPAC name is tetrapotassium;[morpholin-4-yl(phosphonato)methyl]-dioxido-oxo-λ 5 -phosphane.
What is the InChI of (Morpholinomethylene)bisphosphonic acid, potassium salt?
The InChI is InChI=1S/C5H13NO7P2.4K/c7-14(8,9)5(15(10,11)12)6-1-3-13-4-2-6;;;;/h5H,1-4H2,(H2,7,8,9)(H2,10,11,12);;;;/q;4*+1/p-4.
What is the InChIKey of the compound?
The InChIKey is FZSVLCXDIWIGSL-UHFFFAOYSA-J.
What is the canonical SMILES of (Morpholinomethylene)bisphosphonic acid, potassium salt?
The canonical SMILES is C1COCCN1C(P(=O)([O-])[O-])P(=O)([O-])[O-].[K+].[K+].[K+].[K+].
What is the CAS number of the compound?
The CAS number is 94200-62-1.
How many hydrogen bond acceptor counts does the compound have?
The compound has 8 hydrogen bond acceptor counts.
What is the topological polar surface area of the compound?
The topological polar surface area is 139 Ų.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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