CAS
94108-13-1 Purity
96%
94108-13-1 Purity
96%
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[[2-(Hydroxymethyl)-5-furyl]methyl]ammonium hydrogen oxalate
CAS
94108-18-6
Catalog Number
ACM94108186
Category
Other Products
Molecular Weight
217.176040 [g/mol]
Molecular Formula
C8H13NO2.C2H2O4
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Specification
Synonyms
EINECS 302-357-0, ((2-(Hydroxymethyl)-5-furyl)methyl)ammonium hydrogen oxalate, 94108-18-6
IUPAC Name
[5-(hydroxymethyl)furan-2-yl]methylazanium; 2-hydroxy-2-oxoacetate
Canonical SMILES
C1=C(OC(=C1)CO)C[NH₃+].C(=O)(C(=O)[O-])O
InChI Key
QYHSFXHWKWVOFE-UHFFFAOYSA-N
Boiling Point
505.9ºC at 760 mmHg
Flash Point
259.8ºC
EC Number
302-357-0
Exact Mass
217.05900
H-Bond Acceptor
6
H-Bond Donor
3
What is the molecular formula of [[2-(Hydroxymethyl)-5-furyl]methyl]ammonium hydrogen oxalate?
The molecular formula is C8H11NO6.
When was PubChem CID 44151080 created and last modified?
It was created on 2009-08-20 and last modified on 2023-12-30.
What are some synonyms for [[2-(Hydroxymethyl)-5-furyl]methyl]ammonium hydrogen oxalate?
Some synonyms include EINECS 302-357-0, 94108-18-6, and DTXSID40240569.
What is the molecular weight of this compound?
The molecular weight is 217.18 g/mol.
What are the component compounds of [[2-(Hydroxymethyl)-5-furyl]methyl]ammonium hydrogen oxalate?
The component compounds are Oxalic Acid (CID 971) and 2-Furanmethanol, 5-(aminomethyl)- (CID 448213).
What is the IUPAC name of the compound?
The IUPAC name is [5-(hydroxymethyl)furan-2-yl]methylazanium;2-hydroxy-2-oxoacetate.
What is the InChIKey of the compound?
The InChIKey is QYHSFXHWKWVOFE-UHFFFAOYSA-N.
How many hydrogen bond donor counts are there in the compound?
There are 3 hydrogen bond donor counts.
What is the exact mass of [[2-(Hydroxymethyl)-5-furyl]methyl]ammonium hydrogen oxalate?
The exact mass is 217.05863707 g/mol.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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