CAS
97403-77-5 Purity
96%
97403-77-5 Purity
96%
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1,2,3-Propanetricarboxylicacid,2-hydroxy-,barium salt(1:3)
CAS
97403-84-4
Catalog Number
ACM97403844
Category
Other Products
Molecular Weight
790.1804
Molecular Formula
C6H8O7.3Ba
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Specification
IUPAC Name
barium(2+);2-hydroxypropane-1,2,3-tricarboxylate
Canonical SMILES
C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.[Ba+2].[Ba+2].[Ba+2]
InChI Key
PAVWOHWZXOQYDB-UHFFFAOYSA-H
Boiling Point
309.6ºC at 760mmHg
Flash Point
155.2ºC
Density
g/cm³
EC Number
306-746-6
Exact Mass
791.72300
H-Bond Acceptor
14
H-Bond Donor
2
What is the molecular formula of 1,2,3-Propanetricarboxylicacid,2-hydroxy-,barium salt(1:3)?
The molecular formula is C12H10Ba3O14.
When was the compound created and modified?
The compound was created on 2006-10-25 and modified on 2023-12-30.
What is the IUPAC name of the compound?
The IUPAC name is barium(2+);2-hydroxypropane-1,2,3-tricarboxylate.
What is the InChI of the compound?
The InChI is InChI=1S/2C6H8O7.3Ba/c2*7-3(8)1-6(13,5(11)12)2-4(9)10;;;/h2*13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;/q;;3*+2/p-6.
What is the Canonical SMILES of the compound?
The Canonical SMILES is C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.[Ba+2].[Ba+2].[Ba+2].
What is the European Community (EC) Number of the compound?
The European Community (EC) Number of the compound is 306-746-6.
How many hydrogen bond donor counts are there in the compound?
There are 2 hydrogen bond donor counts in the compound.
What is the exact mass of the compound?
The exact mass is 791.722796 g/mol.
How many rotatable bond counts are there in the compound?
There are 4 rotatable bond counts in the compound.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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97403-86-6 Purity
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97403-86-6 Purity
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