CAS
94094-68-5 Purity
96%
94094-68-5 Purity
96%
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Dipotassium 2-carboxylato-1H-indole-3-butyrate
CAS
94094-74-3
Catalog Number
ACM94094743
Category
Other Products
Molecular Weight
323.4273
Molecular Formula
C13H13NO4.2K
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Specification
Synonyms
AGN-PC-030SJT, EINECS 302-176-7, Dipotassium 2-carboxylato-1H-indole-3-butyrate, dipotassium;3-(3-carboxylatopropyl)-1H-indole-2-carboxylate, 94094-74-3
IUPAC Name
dipotassium;3-(3-carboxylatopropyl)-1H-indole-2-carboxylate
Canonical SMILES
C1=CC=C2C(=C1)C(=C(N2)C(=O)[O-])CCCC(=O)[O-].[K+].[K+]
InChI Key
RGHBVLXJSKFBSI-UHFFFAOYSA-L
Boiling Point
525.7ºC at 760mmHg
Flash Point
271.7ºC
Density
g/cm³
EC Number
302-176-7
Exact Mass
322.99600
H-Bond Acceptor
4
H-Bond Donor
1
What is the molecular formula of Dipotassium 2-carboxylato-1H-indole-3-butyrate?
The molecular formula is C13H11K2NO4.
When was Dipotassium 2-carboxylato-1H-indole-3-butyrate created and modified?
It was created on December 5, 2007, and last modified on December 30, 2023.
What is the IUPAC name of Dipotassium 2-carboxylato-1H-indole-3-butyrate?
The IUPAC name is dipotassium;3-(3-carboxylatopropyl)-1H-indole-2-carboxylate.
What is the InChI of Dipotassium 2-carboxylato-1H-indole-3-butyrate?
The InChI is InChI=1S/C13H13NO4.2K/c15-11(16)7-3-5-9-8-4-1-2-6-10(8)14-12(9)13(17)18;;/h1-2,4,6,14H,3,5,7H2,(H,15,16)(H,17,18);;/q;2*+1/p-2.
What is the Canonical SMILES of Dipotassium 2-carboxylato-1H-indole-3-butyrate?
The Canonical SMILES is C1=CC=C2C(=C1)C(=C(N2)C(=O)[O-])CCCC(=O)[O-].[K+].[K+].
What is the molecular weight of Dipotassium 2-carboxylato-1H-indole-3-butyrate?
The molecular weight is 323.43 g/mol.
How many hydrogen bond donor counts does Dipotassium 2-carboxylato-1H-indole-3-butyrate have?
It has 1 hydrogen bond donor count.
What is the exact mass of Dipotassium 2-carboxylato-1H-indole-3-butyrate?
The exact mass is 322.99622080 g/mol.
How many rotatable bond counts does Dipotassium 2-carboxylato-1H-indole-3-butyrate have?
It has 3 rotatable bond counts.
Is Dipotassium 2-carboxylato-1H-indole-3-butyrate a canonicalized compound?
Yes, it is a canonicalized compound according to PubChem.
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